Identification
| Names | Resveratrol |
|---|---|
| Class | Stilbenes |
| Sub-Class | Stilbenes |
| Family | Stilbenes |
| Synonyms | 3,5,4'-Trihydroxystilbene |
| Chemical Formula | C14H12O3 |
| Aglycones | Resveratrol |
| PubChem ID | 445154 |
| CAS ID | 501-36-0 |
| ChEBI ID | 27881 |
| SMILES | OC1=CC=C(C=CC2=CC(O)=CC(O)=C2)C=C1 |
Resveratrol
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 228.25 | 3 | 3 | 60.68 | 2.99 | 17 | 2 | 206.92 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 3.09 | 62.446 | Good | Binder | Medium | 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 | Multi-Carcinogen | Toxic | Non - Mutagen | None | Non - Toxic |
| VEGA | Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Unknown |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.