3,3',5-Trihydroxy-4',7-dimethoxyflavanone
PubChem CID: 11256019
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| Compound Synonyms | 3,3',5-Trihydroxy-4',7-dimethoxyflavanone, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-, (2R,3R)-, Taxifolin 7,4'-dimethyl ether, CHEBI:175238, (+)-4',7-Di-O-methyl-(2R,3R)-dihydroquercetin, (+)-4',7-Dimethoxy-(2R,3R)-dihydroquercetin, (2R,3R)-dihydroquercetin-4',7-dimethyl ether, EDA99567, AKOS032948845, 5,3,3'-trihydroxy-7,4'-dimethoxyflavanone, 3',5-dihydroxy-4',7-dimethoxydihydroflavonol, (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Isolated from Blumea balsamifera (sambong). 3,3',5-Trihydroxy-4',7-dimethoxyflavanone is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVPNMFZMHPLGRR-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 3.0 |
| Synonyms | (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone, (s)-1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol, 3,3',5-Trihydroxy-4',7-dimethoxyflavanone, 3',5-Dihydroxy-4',7-dimethoxydihydroflavonol, Taxifolin 7,4'-dimethyl ether |
| Substituent Name | 7-methoxyflavonoid-skeleton, 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavanonol, Flavanone, 5-hydroxyflavonoid, 3-hydroxyflavonoid, 3'-hydroxyflavonoid, Flavan, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Secondary alcohol, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 3,3',5-Trihydroxy-4',7-dimethoxyflavanone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0803096 |
| Inchi | InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Balsamifera (Plant) Rel Props:Source_db:cmaup_ingredients