Identification
| Names | 8-Prenylnaringenin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavanones |
| Family | Alkylflavanones |
| Synonyms | 5,7,4'-Trihydroxy-8-prenylflavanone ; Isobavachin |
| Chemical Formula | C20H20O5 |
| Aglycones | 8-Prenylnaringenin |
| PubChem ID | 513197 |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | CC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1 |
8-Prenylnaringenin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 340.38 | 3 | 5 | 86.99 | 4.37 | 25 | 3 | 307.6 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 4.23 | 88.677 | Good | Non - Binder | Medium | Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | Equivocal | 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.