2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C23H24O9 — CID 141125304

IUPAC2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCOc1oc2cc(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H24O9/c1-29-13-8-12(22-21(28)20(27)18(25)15(10-24)31-22)9-14-17(13)19(26)16(23(30-2)32-14)11-6-4-3-5-7-11/h3-9,15,18,20-22,24-25,27-28H,10H2,1-2H3/t15-,18-,20+,21-,22?/m1/s1
InChIKeyJDHWOHHBYKJHHE-WUAVPHCGSA-N
MW444.44 g/mol
LogP0.99
Rot. Bonds5

About 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one (PubChem CID 141125304) has the molecular formula C23H24O9 and a molecular weight of 444.44 g/mol. Its IUPAC name is 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.

Molecular Properties

Compound Name2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
PubChem CID141125304
Molecular FormulaC23H24O9
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC Name2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCOc1oc2cc(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H24O9/c1-29-13-8-12(22-21(28)20(27)18(25)15(10-24)31-22)9-14-17(13)19(26)16(23(30-2)32-14)11-6-4-3-5-7-11/h3-9,15,18,20-22,24-25,27-28H,10H2,1-2H3/t15-,18-,20+,21-,22?/m1/s1
InChIKeyJDHWOHHBYKJHHE-WUAVPHCGSA-N
XLogP0.99
TPSA138.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 162817433
(2R,3S,4R,5S,6R)-2-(4-bromo-3-methoxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71730535
2-(4-bromo-3-methoxyphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78161852
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 163043508
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 163043507
1,3,6-trihydroxy-7-methoxy-2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
CID 171666845
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 172885210
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 163087862
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 5317357
2-(hydroxymethyl)-6-[4-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123968321
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 162899898

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The IUPAC name of 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one (CID 141125304) is 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
What is the SMILES notation for 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The canonical SMILES for 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one is COc1oc2cc(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c2c(=O)c1-c1ccccc1.
What is the InChIKey of 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The InChIKey is JDHWOHHBYKJHHE-WUAVPHCGSA-N. The full InChI is InChI=1S/C23H24O9/c1-29-13-8-12(22-21(28)20(27)18(25)15(10-24)31-22)9-14-17(13)19(26)16(23(30-2)32-14)11-6-4-3-5-7-11/h3-9,15,18,20-22,24-25,27-28H,10H2,1-2H3/t15-,18-,20+,21-,22?/m1/s1.
What are the key properties of 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one?
2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one has a molecular weight of 444.44 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-phenyl-7-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one is sourced from PubChem (CID 141125304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).