6,7,4'-Trihydroxyisoflavone
PubChem CID: 5284649
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| Compound Synonyms | 17817-31-1, 6,7,4'-trihydroxyisoflavone, 4',6,7-Trihydroxyisoflavone, Demethyltexasin, 6-Hydroxydaidzein, 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, Desmethylglycitein, 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-(4-hydroxyphenyl)-, PLM2K574GE, 4',6,7-trihydroxy isoflavone, CHEMBL239156, CHEBI:74957, 6,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 4',?6,?7-?Trihydroxyisoflavone, UNII-PLM2K574GE, Demethyltexasin, 6-Hydroxydaidzein, Desmethylglycitein, Soybean factor 2, Soybean factor 2, MFCD00016953, SCHEMBL73999, BIDD:ER0396, 4'',6,7-trihydroxyisoflavone, 4',6,7,-Trihydroxyisoflavone, 6,7,3''-trihydroxyisoflavone, 6,7,4''-trihydroxyisoflavone, DTXSID8022452, 4'',6,7,-trihydroxyisoflavone, Demethyltexasin, 6-Hydroxydaidzein, HY-N5072, BDBM50222303, LMPK12050102, AKOS015903112, FT69993, AS-70375, ISOFLAVONE, 4',6,7-TRIHYDROXY-, DB-107895, CS-0032293, T3473, A1-01444, Q23055293, 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from fermented soybeans (Glycine max). 6-Hydroxydaidzein is found in soy bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18054, P16050, O15296, P47989, P11388, P37231, Q07869, P11344, n.a., Q03181 |
| Iupac Name | 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C15H10O5 |
| Inchi Key | GYLUFQJZYAJQDI-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 6,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 6,7,4'-Trihydroxyisoflavone, Demethyltexasin, Soybean factor 2, 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9ci, 6-Hydroxydaidzein |
| Substituent Name | Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Benzopyran, 1,2-diphenol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 6,7,4'-Trihydroxyisoflavone |
| Kingdom | Organic compounds |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H |
| Smiles | C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all