Identification
| Names | Hispidulin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavones |
| Family | Methoxyflavones |
| Synonyms | 5,7,4'-Trihydroxy-6-methoxyflavone ; 6-Methoxyapigenin ; 6-Methylscutellarein |
| Chemical Formula | C16H12O6 |
| Aglycones | Hispidulin |
| PubChem ID | 5281628 |
| CAS ID | 1447-88-7 |
| ChEBI ID | - |
| SMILES | COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O |
Hispidulin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 300.27 | 3 | 6 | 100.13 | 2.48 | 22 | 2 | 249.59 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.394 | 97.607 | Good | Non - Binder | Low | 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 | Carcinogen | Toxic | Non - Mutagen | Strong | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.