Identification
| Names | Sakuranetin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavanones |
| Family | Methoxyflavanones |
| Synonyms | 5,4'-Dihydroxy-7-methoxyflavanone ; 7-Methylnaringenin |
| Chemical Formula | C16H14O5 |
| Aglycones | Sakuranetin |
| PubChem ID | 348130 |
| CAS ID | 2957-21-3 |
| ChEBI ID | 28927 |
| SMILES | COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1 |
Sakuranetin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 286.28 | 2 | 5 | 76 | 2.65 | 21 | 2 | 247.79 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.599 | 76.791 | Good | Non - Binder | Low | 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 | 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.