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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one

C45H44O10 — CID 166583949

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)-7-hydroxy-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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 166583949) has the molecular formula C45H44O10 and a molecular weight of 744.84 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)-7-hydroxy-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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one
• PubChem CID: 166583949
• Molecular Formula: C45H44O10
• Molecular Weight: 744.84 g/mol
• Exact Mass: 744.29
• 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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one
• SMILES: CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)ccc4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)CC2c2ccc(O)cc2O)c1O
• InChI: InChI=1S/C45H44O10/c1-22(2)6-10-28-35(48)16-14-30(41(28)52)43(54)39-33(27-12-8-25(46)20-37(27)50)18-24(5)19-34(39)40-36(49)17-15-32-42(53)31(11-7-23(3)4)44(55-45(32)40)29-13-9-26(47)21-38(29)51/h6-9,12-17,19-21,33-34,39,46-52H,10-11,18H2,1-5H3
• InChIKey: JTCHUVMPCHZVBM-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 188.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.84
LogP ≤ 5	9.13
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]-2-(2,4-dihydroxyphenyl)-7-hydroxy-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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one (CID 166583949) 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)-7-hydroxy-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)-7-hydroxy-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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one is CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)ccc4c(=O)c(CC=C(C)C)c(-c5ccc(O)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]-2-(2,4-dihydroxyphenyl)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one?

The InChIKey is JTCHUVMPCHZVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44O10/c1-22(2)6-10-28-35(48)16-14-30(41(28)52)43(54)39-33(27-12-8-25(46)20-37(27)50)18-24(5)19-34(39)40-36(49)17-15-32-42(53)31(11-7-23(3)4)44(55-45(32)40)29-13-9-26(47)21-38(29)51/h6-9,12-17,19-21,33-34,39,46-52H,10-11,18H2,1-5H3.

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)-7-hydroxy-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)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 744.84 g/mol, XLogP of 9.13, 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]-2-(2,4-dihydroxyphenyl)-7-hydroxy-3-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 166583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).