8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one

C46H46O11 — CID 144981183

About 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one

8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 144981183) has the molecular formula C46H46O11 and a molecular weight of 774.86 g/mol. Its IUPAC name is 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

• Compound Name: 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
• PubChem CID: 144981183
• Molecular Formula: C46H46O11
• Molecular Weight: 774.86 g/mol
• Exact Mass: 774.30
• IUPAC Name: 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
• SMILES: COc1cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc2c1C1C=C(C)CC(c2ccc(O)cc2O)C1C(=O)c1ccc(O)c(CC=C(C)C)c1O
• InChI: InChI=1S/C46H46O11/c1-22(2)7-11-28-34(49)16-15-30(42(28)53)43(54)39-32(27-13-9-25(47)19-35(27)50)17-24(5)18-33(39)40-38(56-6)21-37(52)41-44(55)31(12-8-23(3)4)45(57-46(40)41)29-14-10-26(48)20-36(29)51/h7-10,13-16,18-21,32-33,39,47-53H,11-12,17H2,1-6H3
• InChIKey: HOTFVFMJEREYFB-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 198.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	774.86
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one?

The IUPAC name of 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one (CID 144981183) is 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one.

What is the SMILES notation for 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one?

The canonical SMILES for 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one is COc1cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc2c1C1C=C(C)CC(c2ccc(O)cc2O)C1C(=O)c1ccc(O)c(CC=C(C)C)c1O.

What is the InChIKey of 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one?

The InChIKey is HOTFVFMJEREYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O11/c1-22(2)7-11-28-34(49)16-15-30(42(28)53)43(54)39-32(27-13-9-25(47)19-35(27)50)17-24(5)18-33(39)40-38(56-6)21-37(52)41-44(55)31(12-8-23(3)4)45(57-46(40)41)29-14-10-26(48)20-36(29)51/h7-10,13-16,18-21,32-33,39,47-53H,11-12,17H2,1-6H3.

What are the key properties of 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one?

8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 774.86 g/mol, XLogP of 9.14, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 144981183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).