2'-Hydroxydihydrodaidzein
PubChem CID: 440047
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2'-Hydroxydihydrodaidzein, 2'-hydroxy-2,3-dihydrodaidzein, 7,2',4'-Trihydroxyisoflavanone, CHEBI:16035, 3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one, 2',4',7-trihydroxyisoflavanone, 3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-4H-chromen-4-one, C03567, (+/-)-2'-Hydroxydihydrodaidzein, LMPK12050463, Q27098345, 75519-15-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Isoflavanones |
| Deep Smiles | Occcccc6)O))CCOccC6=O))cccc6)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Isoflavonoids |
| Description | (±)-2'-hydroxydihydrodaidzein, also known as 2',4',7-trihydroxyisoflavanone, is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (±)-2'-hydroxydihydrodaidzein is considered to be a flavonoid lipid molecule (±)-2'-hydroxydihydrodaidzein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (±)-2'-hydroxydihydrodaidzein can be found in green bean, pulses, and yellow wax bean, which makes (±)-2'-hydroxydihydrodaidzein a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Class | Isoflavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflavans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O5 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2OCC1c1ccccc1 |
| Inchi Key | WBOWBLGZAXVREM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,3-Dihydro-7-hydroxy-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one, 2',4',7-Trihydroxyisoflavanone, 2'-Hydroxydihydrodaidzein, 2'-Hydroxy-2,3-dihydrodaidzein, 2'-hydroxydihydrodaidzein |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO, cOC |
| Compound Name | 2'-Hydroxydihydrodaidzein |
| Kingdom | Organic compounds |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2 |
| Smiles | C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Isoflavanones |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Reference:ISBN:9788172363178