4',7-Dihydroxy-2',5-dimethoxyisoflavanone
PubChem CID: 44257395
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| Compound Synonyms | 4',7-Dihydroxy-2',5-dimethoxyisoflavanone, 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone, CHEBI:175061, DTXSID801130434, LMPK12050505, 99965-02-3, 2,3-Dihydro-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from Phaseolus coccineus (scarlet runner bean). 4',7-Dihydroxy-2',5-dimethoxyisoflavanone is found in pulses and scarlet bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 2.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C17H16O6 |
| Inchi Key | VXWBAOPTFLXYTN-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 4',7-Dihydroxy-2',5-dimethoxyisoflavanone, 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone |
| Substituent Name | 5-methoxyisoflavonoid-skeleton, 2p-methoxyisoflavonoid-skeleton, Hydroxyisoflavonoid, Isoflavanone, Isoflavanol, Isoflavan, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | 4',7-Dihydroxy-2',5-dimethoxyisoflavanone |
| Kingdom | Organic compounds |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C(CO2)C3=C(C=C(C=C3)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all