Identification
| Names | Glycitein |
|---|---|
| Class | Flavonoids |
| Sub-Class | Isoflavonoids |
| Family | Methoxyisoflavones |
| Synonyms | 7,4'-Dihydroxy-6-methoxyisoflavone ; Glycitein |
| Chemical Formula | C16H12O5 |
| Aglycones | Glycitein |
| PubChem ID | 5317750 |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 |
Glycitein
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 284.27 | 2 | 5 | 79.9 | 2.38 | 21 | 2 | 241.58 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.366 | 76.791 | Good | Non - Binder | Low | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | Plausible | No Hit |
| TOPKAT | Carcinogen | Toxic | Non - Mutagen | None | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.