Identification
| Names | Daidzein |
|---|---|
| Class | Flavonoids |
| Sub-Class | Isoflavonoids |
| Family | Isoflavones |
| Synonyms | 7,4'-Dihydroxyisoflavone ; Daidzeol |
| Chemical Formula | C15H10O4 |
| Aglycones | Daidzein |
| PubChem ID | 5281708 |
| CAS ID | 486-66-8 |
| ChEBI ID | 28197 |
| SMILES | OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O |
Daidzein
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 254.24 | 2 | 4 | 70.67 | 2.56 | 19 | 1 | 216.03 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 0.452 | 148.168 | 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 | 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.