5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one

C33H24O10 — CID 162880668

IUPAC5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c(O)cc3o2)cc1
InChIInChI=1S/C33H24O10/c1-39-18-8-4-16(5-9-18)24-13-22(36)29-27(42-24)15-23(37)30(32(29)38)31-26(41-3)14-21(35)28-20(34)12-25(43-33(28)31)17-6-10-19(40-2)11-7-17/h4-15,35,37-38H,1-3H3
InChIKeyLOTWWWKSOGENLE-UHFFFAOYSA-N
MW580.55 g/mol
LogP6.04
Rot. Bonds6

About 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one

5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 162880668) has the molecular formula C33H24O10 and a molecular weight of 580.55 g/mol. Its IUPAC name is 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID162880668
Molecular FormulaC33H24O10
Molecular Weight580.55 g/mol
Exact Mass580.14
IUPAC Name5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c(O)cc3o2)cc1
InChIInChI=1S/C33H24O10/c1-39-18-8-4-16(5-9-18)24-13-22(36)29-27(42-24)15-23(37)30(32(29)38)31-26(41-3)14-21(35)28-20(34)12-25(43-33(28)31)17-6-10-19(40-2)11-7-17/h4-15,35,37-38H,1-3H3
InChIKeyLOTWWWKSOGENLE-UHFFFAOYSA-N
XLogP6.04
TPSA148.80 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.55
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 5320646
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 162875618
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
CID 175811145
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one (CID 162880668) is 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(O)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c(O)cc3o2)cc1.
What is the InChIKey of 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is LOTWWWKSOGENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O10/c1-39-18-8-4-16(5-9-18)24-13-22(36)29-27(42-24)15-23(37)30(32(29)38)31-26(41-3)14-21(35)28-20(34)12-25(43-33(28)31)17-6-10-19(40-2)11-7-17/h4-15,35,37-38H,1-3H3.
What are the key properties of 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one?
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 580.55 g/mol, XLogP of 6.04, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 162880668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).