Identification
| Names | Hesperetin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavanones |
| Family | Methoxyflavanones |
| Synonyms | 5,7,3'-Trihydroxy-4'-methoxyflavanone ; 4'-Methyleriodictyol |
| Chemical Formula | C16H14O6 |
| Aglycones | Hesperetin |
| PubChem ID | 72281 |
| CAS ID | 520-33-2 |
| ChEBI ID | 28230 |
| SMILES | COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 |
Hesperetin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 302.28 | 3 | 6 | 96.22 | 1.94 | 22 | 2 | 255.81 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.357 | 97.607 | 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 | Plausible | 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.