Identification
| Names | Pinosylvin |
|---|---|
| Class | Stilbenes |
| Sub-Class | Stilbenes |
| Family | Stilbenes |
| Synonyms | 3,5-Dihydroxystilbene |
| Chemical Formula | C14H12O2 |
| Aglycones | Pinosylvin |
| PubChem ID | 100754 |
| CAS ID | 102-61-4 |
| ChEBI ID | 36011 |
| SMILES | OC1=CC(C=CC2=CC=CC=C2)=CC(O)=C1 |
Pinosylvin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 212.25 | 2 | 2 | 40.46 | 3.46 | 16 | 2 | 198.91 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 3.332 | 41.631 | Good | Binder | High | 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 | Mutagen | None | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Unknown |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.