2',4',5,7,8-Pentahydroxyisoflavone
PubChem CID: 44257373
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2',4',5,7,8-Pentahydroxyisoflavone, 5,7,8,2',4'-Pentahydroxyisoflavone, 104363-16-8, 3-(2,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one, SZC7L22TKC, CHEBI:174879, DTXSID701177786, LMPK12050441, 5,7,8,2',4'-penta hydroxyisoflavone, 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one, 3-(2,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one, 9CI, 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxy- |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Phaseolus lunatus (butter bean). 2',4',5,7,8-Pentahydroxyisoflavone is found in pulses and lima bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one |
| Nih Violation | True |
| Class | Isoflavonoids |
| Xlogp | 2.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C15H10O7 |
| Inchi Key | LOLNVJIGYUJCIY-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-(2,4-Dihydroxyphenyl)-5,7,8-trihydroxy-4H-1-benzopyran-4-one, 9CI, 5,7,8,2',4'-Pentahydroxyisoflavone |
| Substituent Name | Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Benzopyran, Hydroxyquinol derivative, Resorcinol, 1,2-diphenol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 2',4',5,7,8-Pentahydroxyisoflavone |
| Kingdom | Organic compounds |
| Exact Mass | 302.043 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 302.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 302.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H10O7/c16-6-1-2-7(9(17)3-6)8-5-22-15-12(13(8)20)10(18)4-11(19)14(15)21/h1-5,16-19,21H |
| Smiles | C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C(=CC(=C3O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all