7,8,2',4'-Tetrahydroxyisoflavone
PubChem CID: 5378260
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| Compound Synonyms | 7,8,2',4'-Tetrahydroxyisoflavone, 7,8,2',4'-Tetrahydroxy-isoflavone, MMEMQPVSEZVECO-UHFFFAOYSA-N, 7,8,2',4'-Tetrahydroxyisoflavon, LMPK12050149, 3-(2,4-Dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | MMEMQPVSEZVECO-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | 7,8,2',4'-Tetrahydroxyisoflavone |
| Description | 7,8,2',4'-Tetrahydroxyisoflavone is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, 7,8,2',4'-Tetrahydroxyisoflavone is considered to be a flavonoid lipid molecule. 7,8,2',4'-Tetrahydroxyisoflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7,8,2',4'-Tetrahydroxyisoflavone can be found in lima bean, which makes 7,8,2',4'-Tetrahydroxyisoflavone a potential biomarker for the consumption of this food product. |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H10O6/c16-7-1-2-8(12(18)5-7)10-6-21-15-9(13(10)19)3-4-11(17)14(15)20/h1-6,16-18,20H |
| Smiles | C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3O)O |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H10O6 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all