5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C32H28O10 — CID 14777422

IUPAC5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2COc3cc(O)ccc3C2c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)c(OC)c1O
InChIInChI=1S/C32H28O10/c1-39-23-10-9-18(32(40-2)30(23)37)20-14-41-25-11-17(34)7-8-19(25)27(20)29-22(36)13-26-28(31(29)38)21(35)12-24(42-26)15-3-5-16(33)6-4-15/h3-11,13,20,24,27,33-34,36-38H,12,14H2,1-2H3
InChIKeyGDQXSAJMDITASZ-UHFFFAOYSA-N
MW572.57 g/mol
LogP5.25
Rot. Bonds5

About 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 14777422) has the molecular formula C32H28O10 and a molecular weight of 572.57 g/mol. Its IUPAC name is 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID14777422
Molecular FormulaC32H28O10
Molecular Weight572.57 g/mol
Exact Mass572.17
IUPAC Name5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2COc3cc(O)ccc3C2c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)c(OC)c1O
InChIInChI=1S/C32H28O10/c1-39-23-10-9-18(32(40-2)30(23)37)20-14-41-25-11-17(34)7-8-19(25)27(20)29-22(36)13-26-28(31(29)38)21(35)12-24(42-26)15-3-5-16(33)6-4-15/h3-11,13,20,24,27,33-34,36-38H,12,14H2,1-2H3
InChIKeyGDQXSAJMDITASZ-UHFFFAOYSA-N
XLogP5.25
TPSA155.14 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.57
LogP ≤ 55.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

(3R,4R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-4-[4-hydroxy-3-[(3R,4S)-7-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 141492875
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
(2S)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 162898919
5,7-dihydroxy-6-[(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 10984228
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one
CID 100941748
5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-4-(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 169178516
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 101143545
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;bis(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one);bis(5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydrochromen-4-one)
CID 161273005
4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118296078

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 14777422) is 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(C2COc3cc(O)ccc3C2c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)c(OC)c1O.
What is the InChIKey of 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GDQXSAJMDITASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O10/c1-39-23-10-9-18(32(40-2)30(23)37)20-14-41-25-11-17(34)7-8-19(25)27(20)29-22(36)13-26-28(31(29)38)21(35)12-24(42-26)15-3-5-16(33)6-4-15/h3-11,13,20,24,27,33-34,36-38H,12,14H2,1-2H3.
What are the key properties of 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 572.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14777422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).