2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane

C322H421NO70 — CID 158331158

IUPAC2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane
SMILESC.C/C(=C\Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O.C/C(=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc(O)c1O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc2c1OCC2.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)CO)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)NO.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)O)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)O.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCCC(C)(C)O.COc1ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c(C/C=C(\C)CCCC(C)(C)O)c1OC
InChIInChI=1S/C39H55NO10.C38H52O10.C33H44O7.C33H46O7.C33H44O6.C33H42O5.C32H38O5.C30H36O6.2C25H30O7.CH4/c1-24(11-10-17-38(4,5)49-23-34(44)40-45)12-14-30-29(15-13-25(2)36(30)46-8)32-20-31(43)35-33(50-32)19-26(3)28(37(35)47-9)16-18-39(6,7)48-22-27(42)21-41;1-23(11-10-17-37(4,5)46-21-32(40)41)12-14-28-27(15-13-24(2)35(28)44-8)30-20-29(39)34-31(48-30)19-25(3)26(36(34)45-9)16-18-38(6,7)47-22-33(42)43;1-20(2)10-12-23-22(19-34)17-29-30(31(23)36)26(35)18-28(40-29)24-14-15-27(38-6)32(39-7)25(24)13-11-21(3)9-8-16-33(4,5)37;1-20(9-8-15-32(3,4)37)10-12-25-24(13-11-21(2)31(25)39-7)27-18-26(35)29-28(40-27)17-22(19-34)23(30(29)36)14-16-33(5,6)38;1-20(2)9-8-10-21(3)11-13-26-25(14-12-22(4)32(26)38-7)28-18-27(35)30-29(39-28)17-23(19-34)24(31(30)36)15-16-33(5,6)37;1-20(2)9-8-10-22(5)12-15-27-26(16-13-23(6)33(27)37-7)29-18-28(35)31-30(38-29)17-24(19-34)25(32(31)36)14-11-21(3)4;1-19(2)7-6-8-21(5)10-13-24-23(14-11-22-15-16-36-32(22)24)28-18-27(34)30-29(37-28)17-26(33)25(31(30)35)12-9-20(3)4;1-17(2)7-6-8-19(5)10-12-21-20(13-14-23(31)29(21)34)26-16-25(33)28-27(36-26)15-24(32)22(30(28)35)11-9-18(3)4;1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21;1-14(5-4-8-25(2,3)31)6-7-15-9-16(10-20(29)24(15)30)21-13-19(28)23-18(27)11-17(26)12-22(23)32-21;/h12-13,15,19,32,41,45H,10-11,14,16-18,20-23H2,1-9H3,(H,40,44);12-13,15,19,30H,10-11,14,16-18,20-22H2,1-9H3,(H,40,41)(H,42,43);10-11,14-15,17,28,34,36-37H,8-9,12-13,16,18-19H2,1-7H3;10-11,13,17,27,34,36-38H,8-9,12,14-16,18-19H2,1-7H3;9,11-12,14,17,28,34,36-37H,8,10,13,15-16,18-19H2,1-7H3;9,11-13,16-17,29,34,36H,8,10,14-15,18-19H2,1-7H3;7,9-11,14,17,28,33,35H,6,8,12-13,15-16,18H2,1-5H3;7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3;6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3;6,9-12,21,26-27,29-31H,4-5,7-8,13H2,1-3H3;1H4/b24-12+;23-12+;21-11+;20-10+;21-11+;22-12+;21-10+;19-10+;2*14-6+;/t;;28-;27-;28-;29-;;;2*21-;/m..0000..00./s1
InChIKeyGQAJKMWXCKCROY-STQRXLGVSA-N
MW5425.85 g/mol
LogP65.11
Rot. Bonds112

About 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane

2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane (PubChem CID 158331158) has the molecular formula C322H421NO70 and a molecular weight of 5425.85 g/mol. Its IUPAC name is 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane.

Molecular Properties

Compound Name2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane
PubChem CID158331158
Molecular FormulaC322H421NO70
Molecular Weight5425.85 g/mol
Exact Mass5421.94
IUPAC Name2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane
SMILESC.C/C(=C\Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O.C/C(=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc(O)c1O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc2c1OCC2.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)CO)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)NO.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)O)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)O.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCCC(C)(C)O.COc1ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c(C/C=C(\C)CCCC(C)(C)O)c1OC
InChIInChI=1S/C39H55NO10.C38H52O10.C33H44O7.C33H46O7.C33H44O6.C33H42O5.C32H38O5.C30H36O6.2C25H30O7.CH4/c1-24(11-10-17-38(4,5)49-23-34(44)40-45)12-14-30-29(15-13-25(2)36(30)46-8)32-20-31(43)35-33(50-32)19-26(3)28(37(35)47-9)16-18-39(6,7)48-22-27(42)21-41;1-23(11-10-17-37(4,5)46-21-32(40)41)12-14-28-27(15-13-24(2)35(28)44-8)30-20-29(39)34-31(48-30)19-25(3)26(36(34)45-9)16-18-38(6,7)47-22-33(42)43;1-20(2)10-12-23-22(19-34)17-29-30(31(23)36)26(35)18-28(40-29)24-14-15-27(38-6)32(39-7)25(24)13-11-21(3)9-8-16-33(4,5)37;1-20(9-8-15-32(3,4)37)10-12-25-24(13-11-21(2)31(25)39-7)27-18-26(35)29-28(40-27)17-22(19-34)23(30(29)36)14-16-33(5,6)38;1-20(2)9-8-10-21(3)11-13-26-25(14-12-22(4)32(26)38-7)28-18-27(35)30-29(39-28)17-23(19-34)24(31(30)36)15-16-33(5,6)37;1-20(2)9-8-10-22(5)12-15-27-26(16-13-23(6)33(27)37-7)29-18-28(35)31-30(38-29)17-24(19-34)25(32(31)36)14-11-21(3)4;1-19(2)7-6-8-21(5)10-13-24-23(14-11-22-15-16-36-32(22)24)28-18-27(34)30-29(37-28)17-26(33)25(31(30)35)12-9-20(3)4;1-17(2)7-6-8-19(5)10-12-21-20(13-14-23(31)29(21)34)26-16-25(33)28-27(36-26)15-24(32)22(30(28)35)11-9-18(3)4;1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21;1-14(5-4-8-25(2,3)31)6-7-15-9-16(10-20(29)24(15)30)21-13-19(28)23-18(27)11-17(26)12-22(23)32-21;/h12-13,15,19,32,41,45H,10-11,14,16-18,20-23H2,1-9H3,(H,40,44);12-13,15,19,30H,10-11,14,16-18,20-22H2,1-9H3,(H,40,41)(H,42,43);10-11,14-15,17,28,34,36-37H,8-9,12-13,16,18-19H2,1-7H3;10-11,13,17,27,34,36-38H,8-9,12,14-16,18-19H2,1-7H3;9,11-12,14,17,28,34,36-37H,8,10,13,15-16,18-19H2,1-7H3;9,11-13,16-17,29,34,36H,8,10,14-15,18-19H2,1-7H3;7,9-11,14,17,28,33,35H,6,8,12-13,15-16,18H2,1-5H3;7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3;6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3;6,9-12,21,26-27,29-31H,4-5,7-8,13H2,1-3H3;1H4/b24-12+;23-12+;21-11+;20-10+;21-11+;22-12+;21-10+;19-10+;2*14-6+;/t;;28-;27-;28-;29-;;;2*21-;/m..0000..00./s1
InChIKeyGQAJKMWXCKCROY-STQRXLGVSA-N
XLogP65.11
TPSA1119.89 Ų
H-Bond Donors33
H-Bond Acceptors68
Rotatable Bonds112
Heavy Atoms393
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005425.85
LogP ≤ 565.11
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1068

Analyze 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-(3-hydroxy-3-methylbutyl)-5-methoxy-2-[3-methoxy-4-methyl-2-[(E)-3,7,7-trimethyloct-2-enyl]phenyl]-7-methyl-2,3-dihydrochromen-4-one
CID 58114348
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-methyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 58114367
(2S)-2-[3,4-dihydroxy-2-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
CID 123289152
(2S)-2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 91602885
2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 72972601
5-hydroxy-2-[2-(7-hydroxy-3,7-dimethyloct-2-enyl)-3,4-dimethoxyphenyl]-6-(2-hydroxy-2-methylbutyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 67373808
(2S)-2-[2-[(E)-7-bromo-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-6-(3-bromo-3-methylbutyl)-5-methoxy-7-methyl-2,3-dihydrochromen-4-one
CID 58114347
2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dimethoxyphenyl]-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 25253452
(2S)-2-[2-[(E)-7-amino-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-6-(3-amino-3-methylbutyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
CID 67593868
2-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 72954473
(2S)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163074365
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 72732612

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane?
The IUPAC name of 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane (CID 158331158) is 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane.
What is the SMILES notation for 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane?
The canonical SMILES for 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane is C.C/C(=C\Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O)CCCC(C)(C)O.C/C(=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O)CCCC(C)(C)O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc(O)c1O.CC(C)=CCC/C(C)=C/Cc1c(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc2c1OCC2.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)CO)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)NO.COc1c(C)ccc(C2CC(=O)c3c(cc(C)c(CCC(C)(C)OCC(=O)O)c3OC)O2)c1C/C=C(\C)CCCC(C)(C)OCC(=O)O.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCC=C(C)C.COc1c(C)ccc([C@@H]2CC(=O)c3c(cc(CO)c(CCC(C)(C)O)c3O)O2)c1C/C=C(\C)CCCC(C)(C)O.COc1ccc([C@@H]2CC(=O)c3c(cc(CO)c(CC=C(C)C)c3O)O2)c(C/C=C(\C)CCCC(C)(C)O)c1OC.
What is the InChIKey of 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane?
The InChIKey is GQAJKMWXCKCROY-STQRXLGVSA-N. The full InChI is InChI=1S/C39H55NO10.C38H52O10.C33H44O7.C33H46O7.C33H44O6.C33H42O5.C32H38O5.C30H36O6.2C25H30O7.CH4/c1-24(11-10-17-38(4,5)49-23-34(44)40-45)12-14-30-29(15-13-25(2)36(30)46-8)32-20-31(43)35-33(50-32)19-26(3)28(37(35)47-9)16-18-39(6,7)48-22-27(42)21-41;1-23(11-10-17-37(4,5)46-21-32(40)41)12-14-28-27(15-13-24(2)35(28)44-8)30-20-29(39)34-31(48-30)19-25(3)26(36(34)45-9)16-18-38(6,7)47-22-33(42)43;1-20(2)10-12-23-22(19-34)17-29-30(31(23)36)26(35)18-28(40-29)24-14-15-27(38-6)32(39-7)25(24)13-11-21(3)9-8-16-33(4,5)37;1-20(9-8-15-32(3,4)37)10-12-25-24(13-11-21(2)31(25)39-7)27-18-26(35)29-28(40-27)17-22(19-34)23(30(29)36)14-16-33(5,6)38;1-20(2)9-8-10-21(3)11-13-26-25(14-12-22(4)32(26)38-7)28-18-27(35)30-29(39-28)17-23(19-34)24(31(30)36)15-16-33(5,6)37;1-20(2)9-8-10-22(5)12-15-27-26(16-13-23(6)33(27)37-7)29-18-28(35)31-30(38-29)17-24(19-34)25(32(31)36)14-11-21(3)4;1-19(2)7-6-8-21(5)10-13-24-23(14-11-22-15-16-36-32(22)24)28-18-27(34)30-29(37-28)17-26(33)25(31(30)35)12-9-20(3)4;1-17(2)7-6-8-19(5)10-12-21-20(13-14-23(31)29(21)34)26-16-25(33)28-27(36-26)15-24(32)22(30(28)35)11-9-18(3)4;1-14(5-4-10-25(2,3)31)6-7-17-16(8-9-18(27)24(17)30)21-13-20(29)23-19(28)11-15(26)12-22(23)32-21;1-14(5-4-8-25(2,3)31)6-7-15-9-16(10-20(29)24(15)30)21-13-19(28)23-18(27)11-17(26)12-22(23)32-21;/h12-13,15,19,32,41,45H,10-11,14,16-18,20-23H2,1-9H3,(H,40,44);12-13,15,19,30H,10-11,14,16-18,20-22H2,1-9H3,(H,40,41)(H,42,43);10-11,14-15,17,28,34,36-37H,8-9,12-13,16,18-19H2,1-7H3;10-11,13,17,27,34,36-38H,8-9,12,14-16,18-19H2,1-7H3;9,11-12,14,17,28,34,36-37H,8,10,13,15-16,18-19H2,1-7H3;9,11-13,16-17,29,34,36H,8,10,14-15,18-19H2,1-7H3;7,9-11,14,17,28,33,35H,6,8,12-13,15-16,18H2,1-5H3;7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3;6,8-9,11-12,21,26-28,30-31H,4-5,7,10,13H2,1-3H3;6,9-12,21,26-27,29-31H,4-5,7-8,13H2,1-3H3;1H4/b24-12+;23-12+;21-11+;20-10+;21-11+;22-12+;21-10+;19-10+;2*14-6+;/t;;28-;27-;28-;29-;;;2*21-;/m..0000..00./s1.
What are the key properties of 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane?
2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane has a molecular weight of 5425.85 g/mol, XLogP of 65.11, 112 rotatable bonds, 33 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-8-[6-[6-[3-(carboxymethoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetic acid;(2S)-2-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;(2S)-2-[3,4-dihydroxy-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one;2-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dihydro-1-benzofuran-6-yl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-4-methylphenyl]-5-hydroxy-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3,4-dimethoxyphenyl]-7-(hydroxymethyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;(2S)-5-hydroxy-2-[2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-3-methoxy-4-methylphenyl]-7-(hydroxymethyl)-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one;N-hydroxy-2-[(E)-8-[6-[6-[3-(3-hydroxy-2-oxopropoxy)-3-methylbutyl]-5-methoxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxy-3-methylphenyl]-2,6-dimethyloct-6-en-2-yl]oxyacetamide;methane is sourced from PubChem (CID 158331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).