Identification
| Names | Apigenin 6,8-di-C-glucoside |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavones |
| Family | Flavones |
| Synonyms | Vicenin 2 |
| Chemical Formula | C27H30O15 |
| Aglycones | Apigenin |
| PubChem ID | 442664 |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C(=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1)[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
Apigenin 6,8-di-C-glucoside
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 594.52 | 11 | 15 | 271.19 | -2.1 | 42 | 5 | 486.36 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| -2.373 | 273.061 | Very Low | 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 | No Hit | No Hit |
| TOPKAT | Carcinogen | No Hit | Non - Mutagen | No Hit | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.