Identification
| Names | Dihydroquercetin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Dihydroflavonols |
| Family | Dihydroflavonols |
| Synonyms | 3,5,7,3',4'-Pentahydroxyflavanone ; Taxifolin ; Distylin |
| Chemical Formula | C15H12O7 |
| Aglycones | Dihydroquercetin |
| PubChem ID | 10185 |
| CAS ID | 480-18-2 |
| ChEBI ID | 17948 |
| SMILES | OC1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1 |
Dihydroquercetin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 304.25 | 5 | 7 | 127.44 | 0.71 | 22 | 1 | 246.32 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 1.479 | 130.308 | Moderate | 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 | Plausible | No Hit |
| TOPKAT | Non - 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.