[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate

C159H164O54 — CID 160655197

IUPAC[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)cc(CO)c1O.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1CO.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(O)c2)cc1.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(OC)c2)cc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc1.O=C(/C=C/c1ccccc1)OCC(O)COC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C24H26O9.3C23H24O8.C23H24O7.C22H22O7.C21H20O7/c1-30-21-8-4-16(11-20(21)27)5-9-23(28)32-14-19(26)15-33-24(29)10-6-17-3-7-18(13-25)22(12-17)31-2;1-28-19-8-3-16(4-9-19)6-11-22(26)30-14-18(24)15-31-23(27)12-7-17-5-10-20(25)21(13-17)29-2;1-29-20-8-3-16(4-9-20)5-10-22(27)30-14-19(25)15-31-23(28)11-6-17-2-7-18(13-24)21(26)12-17;1-29-20-12-17(11-18(13-24)23(20)28)8-10-22(27)31-15-19(25)14-30-21(26)9-7-16-5-3-2-4-6-16;1-28-21-13-18(7-10-19(21)14-24)9-12-23(27)30-16-20(25)15-29-22(26)11-8-17-5-3-2-4-6-17;1-27-20-13-17(7-10-19(20)24)9-12-22(26)29-15-18(23)14-28-21(25)11-8-16-5-3-2-4-6-16;22-17(13-27-20(25)10-7-15-4-2-1-3-5-15)14-28-21(26)11-8-16-6-9-18(23)19(24)12-16/h3-12,19,25-27H,13-15H2,1-2H3;3-13,18,24-25H,14-15H2,1-2H3;2-12,19,24-26H,13-15H2,1H3;2-12,19,24-25,28H,13-15H2,1H3;2-13,20,24-25H,14-16H2,1H3;2-13,18,23-24H,14-15H2,1H3;1-12,17,22-24H,13-14H2/b9-5+,10-6+;11-6+,12-7+;10-5+,11-6+;9-7+,10-8+;2*11-8+,12-9+;10-7+,11-8+
InChIKeyRKYJCIAXAVDNIX-ZZJKISOMSA-N
MW2939.01 g/mol
LogP16.00
Rot. Bonds68

About [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate

[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate (PubChem CID 160655197) has the molecular formula C159H164O54 and a molecular weight of 2939.01 g/mol. Its IUPAC name is [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
PubChem CID160655197
Molecular FormulaC159H164O54
Molecular Weight2939.01 g/mol
Exact Mass2937.01
IUPAC Name[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)cc(CO)c1O.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1CO.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(O)c2)cc1.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(OC)c2)cc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc1.O=C(/C=C/c1ccccc1)OCC(O)COC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C24H26O9.3C23H24O8.C23H24O7.C22H22O7.C21H20O7/c1-30-21-8-4-16(11-20(21)27)5-9-23(28)32-14-19(26)15-33-24(29)10-6-17-3-7-18(13-25)22(12-17)31-2;1-28-19-8-3-16(4-9-19)6-11-22(26)30-14-18(24)15-31-23(27)12-7-17-5-10-20(25)21(13-17)29-2;1-29-20-8-3-16(4-9-20)5-10-22(27)30-14-19(25)15-31-23(28)11-6-17-2-7-18(13-24)21(26)12-17;1-29-20-12-17(11-18(13-24)23(20)28)8-10-22(27)31-15-19(25)14-30-21(26)9-7-16-5-3-2-4-6-16;1-28-21-13-18(7-10-19(21)14-24)9-12-23(27)30-16-20(25)15-29-22(26)11-8-17-5-3-2-4-6-17;1-27-20-13-17(7-10-19(20)24)9-12-22(26)29-15-18(23)14-28-21(25)11-8-16-5-3-2-4-6-16;22-17(13-27-20(25)10-7-15-4-2-1-3-5-15)14-28-21(26)11-8-16-6-9-18(23)19(24)12-16/h3-12,19,25-27H,13-15H2,1-2H3;3-13,18,24-25H,14-15H2,1-2H3;2-12,19,24-26H,13-15H2,1H3;2-12,19,24-25,28H,13-15H2,1H3;2-13,20,24-25H,14-16H2,1H3;2-13,18,23-24H,14-15H2,1H3;1-12,17,22-24H,13-14H2/b9-5+,10-6+;11-6+,12-7+;10-5+,11-6+;9-7+,10-8+;2*11-8+,12-9+;10-7+,11-8+
InChIKeyRKYJCIAXAVDNIX-ZZJKISOMSA-N
XLogP16.00
TPSA806.18 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds68
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002939.01
LogP ≤ 516.00
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxypropan-2-yl] (E)-3-phenylprop-2-enoate;[1-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropan-2-yl] (E)-3-phenylprop-2-enoate;[1-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[1-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[1-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl] (E)-3-phenylprop-2-enoate;[1-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropan-2-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 158414762
(3-acetyloxy-2-hydroxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 164575623
[2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]butyl] 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 163020945
carbon dioxide;[(1S,2S,3S,5R)-2,5-dihydroxy-3-methylcyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;(E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one;(E)-4-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]but-3-en-2-one;(E)-4-[4-hydroxy-3-(hydroxymethyl)phenyl]but-3-en-2-one;(E)-4-(4-hydroxyphenyl)but-3-en-2-one;methane;(E)-4-phenylbut-3-en-2-one
CID 158152228
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 153435564
[(2S)-2,3-dimethoxypropyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162830856
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
[2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] pentacosanoate
CID 163029037
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(1E,6E)-7-[3,4-bis(hydroxymethyl)phenyl]-5-hydroxy-1-(3-methoxy-4-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1-(3,4-dihydroxyphenyl)-5-(3-hydroxy-4-methylphenyl)penta-1,4-dien-3-one;(1E,4Z,6E)-5-hydroxy-1-[3-hydroxy-4-(hydroxymethyl)phenyl]-7-(3-hydroxy-4-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 161215942
sodium;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;oxiran-2-ylmethyl (E)-3-phenylprop-2-enoate
CID 159503258
(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7765917

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate (CID 160655197) is [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate is COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)cc(CO)c1O.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1CO.COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccccc2)ccc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(O)c2)cc1.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(CO)c(OC)c2)cc1O.COc1ccc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)cc1.O=C(/C=C/c1ccccc1)OCC(O)COC(=O)/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate?
The InChIKey is RKYJCIAXAVDNIX-ZZJKISOMSA-N. The full InChI is InChI=1S/C24H26O9.3C23H24O8.C23H24O7.C22H22O7.C21H20O7/c1-30-21-8-4-16(11-20(21)27)5-9-23(28)32-14-19(26)15-33-24(29)10-6-17-3-7-18(13-25)22(12-17)31-2;1-28-19-8-3-16(4-9-19)6-11-22(26)30-14-18(24)15-31-23(27)12-7-17-5-10-20(25)21(13-17)29-2;1-29-20-8-3-16(4-9-20)5-10-22(27)30-14-19(25)15-31-23(28)11-6-17-2-7-18(13-24)21(26)12-17;1-29-20-12-17(11-18(13-24)23(20)28)8-10-22(27)31-15-19(25)14-30-21(26)9-7-16-5-3-2-4-6-16;1-28-21-13-18(7-10-19(21)14-24)9-12-23(27)30-16-20(25)15-29-22(26)11-8-17-5-3-2-4-6-17;1-27-20-13-17(7-10-19(20)24)9-12-22(26)29-15-18(23)14-28-21(25)11-8-16-5-3-2-4-6-16;22-17(13-27-20(25)10-7-15-4-2-1-3-5-15)14-28-21(26)11-8-16-6-9-18(23)19(24)12-16/h3-12,19,25-27H,13-15H2,1-2H3;3-13,18,24-25H,14-15H2,1-2H3;2-12,19,24-26H,13-15H2,1H3;2-12,19,24-25,28H,13-15H2,1H3;2-13,20,24-25H,14-16H2,1H3;2-13,18,23-24H,14-15H2,1H3;1-12,17,22-24H,13-14H2/b9-5+,10-6+;11-6+,12-7+;10-5+,11-6+;9-7+,10-8+;2*11-8+,12-9+;10-7+,11-8+.
What are the key properties of [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate?
[3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate has a molecular weight of 2939.01 g/mol, XLogP of 16.00, 68 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[3-hydroxy-4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate;[2-hydroxy-3-[(E)-3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 160655197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).