Identification
| Names | Genistin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Isoflavonoids |
| Family | Isoflavones |
| Synonyms | Genistein 7-O-glucoside; 5,7,4'-Trihydroxyisoflavone 7-O-glucoside |
| Chemical Formula | C21H20O10 |
| Aglycones | Genistein |
| PubChem ID | 5281377 |
| CAS ID | 529-59-9 |
| ChEBI ID | 27514 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
Genistin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 432.38 | 6 | 10 | 170.05 | 0.48 | 31 | 4 | 356.17 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 0.21 | 168.984 | Very Low | Non - Binder | Undefined | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | Equivocal | No Hit |
| TOPKAT | Non - Carcinogen | Toxic | Non - Mutagen | None | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.