Identification
| Names | Piceatannol |
|---|---|
| Class | Stilbenes |
| Sub-Class | Stilbenes |
| Family | Stilbenes |
| Synonyms | 3,4,3',5'-Tetrahydroxystilbene ; Astringinin |
| Chemical Formula | C14H12O4 |
| Aglycones | Piceatannol |
| PubChem ID | 4813 |
| CAS ID | 4339-71-3 |
| ChEBI ID | 28814 |
| SMILES | OC1=CC(C=CC2=CC(O)=C(O)C=C2)=CC(O)=C1 |
Piceatannol
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 244.25 | 4 | 4 | 80.91 | 2.5 | 18 | 2 | 214.94 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.848 | 83.262 | Good | Non - Binder | Low | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | Equivocal | No Hit | No Hit | Plausible | No Hit |
| TOPKAT | Non - Carcinogen | Toxic | Non - Mutagen | None | Non - Toxic |
| VEGA | Carcinogen | Toxicant | Mutagen | Sensitizer | Unknown |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.