6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one

C101H104N4O18 — CID 165096920

About 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one

6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one (PubChem CID 165096920) has the molecular formula C101H104N4O18 and a molecular weight of 1661.95 g/mol. Its IUPAC name is 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one.

Molecular Properties

• Compound Name: 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one
• PubChem CID: 165096920
• Molecular Formula: C101H104N4O18
• Molecular Weight: 1661.95 g/mol
• Exact Mass: 1660.73
• IUPAC Name: 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one
• SMILES: C=C1Cc2cc(-c3coc4c5c(c(CC=C(C)C)c(O)c4c3=O)OC(C)(C)C=C5)ccc2N1.Cc1ccc(-c2coc3c4c(c(CCN(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1.Cc1ccc(-c2coc3c4c(c(CCN(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1O.Cc1ccc(-c2coc3c4c(c(CCN)c(O)c3c2=O)OC(C)(C)C=C4)cc1O
• InChI: InChI=1S/C28H27NO4.C25H27NO5.C25H27NO4.C23H23NO5/c1-15(2)6-8-19-24(30)23-25(31)21(17-7-9-22-18(13-17)12-16(3)29-22)14-32-27(23)20-10-11-28(4,5)33-26(19)20;1-14-6-7-15(12-19(14)27)18-13-30-24-17-8-10-25(2,3)31-23(17)16(9-11-26(4)5)21(28)20(24)22(18)29;1-15-6-8-16(9-7-15)19-14-29-24-18-10-12-25(2,3)30-23(18)17(11-13-26(4)5)21(27)20(24)22(19)28;1-12-4-5-13(10-17(12)25)16-11-28-22-15-6-8-23(2,3)29-21(15)14(7-9-24)19(26)18(22)20(16)27/h6-7,9-11,13-14,29-30H,3,8,12H2,1-2,4-5H3;6-8,10,12-13,27-28H,9,11H2,1-5H3;6-10,12,14,27H,11,13H2,1-5H3;4-6,8,10-11,25-26H,7,9,24H2,1-3H3
• InChIKey: XRAUSZCRMIOXHE-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 323.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.95
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one?

The IUPAC name of 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one (CID 165096920) is 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one.

What is the SMILES notation for 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one?

The canonical SMILES for 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one is C=C1Cc2cc(-c3coc4c5c(c(CC=C(C)C)c(O)c4c3=O)OC(C)(C)C=C5)ccc2N1.Cc1ccc(-c2coc3c4c(c(CCN(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1.Cc1ccc(-c2coc3c4c(c(CCN(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1O.Cc1ccc(-c2coc3c4c(c(CCN)c(O)c3c2=O)OC(C)(C)C=C4)cc1O.

What is the InChIKey of 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one?

The InChIKey is XRAUSZCRMIOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4.C25H27NO5.C25H27NO4.C23H23NO5/c1-15(2)6-8-19-24(30)23-25(31)21(17-7-9-22-18(13-17)12-16(3)29-22)14-32-27(23)20-10-11-28(4,5)33-26(19)20;1-14-6-7-15(12-19(14)27)18-13-30-24-17-8-10-25(2,3)31-23(17)16(9-11-26(4)5)21(28)20(24)22(18)29;1-15-6-8-16(9-7-15)19-14-29-24-18-10-12-25(2,3)30-23(18)17(11-13-26(4)5)21(27)20(24)22(19)28;1-12-4-5-13(10-17(12)25)16-11-28-22-15-6-8-23(2,3)29-21(15)14(7-9-24)19(26)18(22)20(16)27/h6-7,9-11,13-14,29-30H,3,8,12H2,1-2,4-5H3;6-8,10,12-13,27-28H,9,11H2,1-5H3;6-10,12,14,27H,11,13H2,1-5H3;4-6,8,10-11,25-26H,7,9,24H2,1-3H3.

What are the key properties of 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one?

6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one has a molecular weight of 1661.95 g/mol, XLogP of 19.44, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminoethyl)-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one;6-[2-(dimethylamino)ethyl]-5-hydroxy-3-(3-hydroxy-4-methylphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)pyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 165096920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).