Identification
| Names | (-)-Epigallocatechin |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavanols |
| Family | Catechins |
| Synonyms | Not Available |
| Chemical Formula | C15H14O7 |
| Aglycones | (-)-Epigallocatechin |
| PubChem ID | 72277 |
| CAS ID | 970-74-1 |
| ChEBI ID | 42255 |
| SMILES | O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1 |
(-)-Epigallocatechin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 306.27 | 6 | 7 | 130.6 | 1.08 | 22 | 1 | 252.16 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 1.779 | 133.823 | Moderate | Non - Binder | Undefined | 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 | 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.