Identification
| Names | Formononetin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Isoflavonoids |
| Family | Methoxyisoflavones |
| Synonyms | 7-Hydroxy-4'-methoxyisoflavone ; 4'-Methyldaidzein ; Biochanin B ; Neochanin ; Pratol |
| Chemical Formula | C16H12O4 |
| Aglycones | Formononetin |
| PubChem ID | 5280378 |
| CAS ID | 485-72-3 |
| ChEBI ID | 18088 |
| SMILES | COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O |
Formononetin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 268.27 | 1 | 4 | 59.67 | 3.1 | 20 | 2 | 233.56 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.608 | 55.976 | Good | Binder | Medium | 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 | Carcinogen | Toxic | Non - Mutagen | None | Toxic |
| VEGA | Carcinogen | Toxicant | Non - Mutagen | Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.