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

C46H46O10 — CID 59391999

About 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 59391999) has the molecular formula C46H46O10 and a molecular weight of 758.86 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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
• PubChem CID: 59391999
• Molecular Formula: C46H46O10
• Molecular Weight: 758.86 g/mol
• Exact Mass: 758.31
• IUPAC Name: 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
• SMILES: CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(C)cc5O)oc34)C=C(C)CC2c2ccc(O)cc2O)c1O
• InChI: InChI=1S/C46H46O10/c1-22(2)7-11-28-34(48)16-15-30(42(28)53)43(54)39-32(27-14-10-26(47)20-36(27)50)17-25(6)18-33(39)40-37(51)21-38(52)41-44(55)31(12-8-23(3)4)45(56-46(40)41)29-13-9-24(5)19-35(29)49/h7-10,13-16,18-21,32-33,39,47-53H,11-12,17H2,1-6H3
• InChIKey: SJCMBHIBEOGUPM-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 188.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.86
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one (CID 59391999) is 8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one is CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(C)cc5O)oc34)C=C(C)CC2c2ccc(O)cc2O)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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one?

The InChIKey is SJCMBHIBEOGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O10/c1-22(2)7-11-28-34(48)16-15-30(42(28)53)43(54)39-32(27-14-10-26(47)20-36(27)50)17-25(6)18-33(39)40-37(51)21-38(52)41-44(55)31(12-8-23(3)4)45(56-46(40)41)29-13-9-24(5)19-35(29)49/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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 758.86 g/mol, XLogP of 9.44, 9 rotatable bonds, 7 hydrogen bond donors, and 10 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]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 59391999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).