Identification
| Names | Phloretin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Dihydrochalcones |
| Family | Dihydrochalcones |
| Synonyms | 4,2',4',6'-Tetrahydroxydihydrochalcone |
| Chemical Formula | C15H14O5 |
| Aglycones | Phloretin |
| PubChem ID | 4788 |
| CAS ID | 60-82-2 |
| ChEBI ID | 17276 |
| SMILES | OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1 |
Phloretin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 274.27 | 4 | 5 | 97.98 | 2.66 | 20 | 4 | 240.11 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 2.757 | 100.562 | Good | Non - Binder | Low | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | Equivocal | No Hit | No Hit | Equivocal | Plausible |
| TOPKAT | Non - Carcinogen | Toxic | Non - Mutagen | None | Toxic |
| VEGA | Carcinogen | Non - Toxicant | Non - Mutagen | Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.