Identification
| Names | Apigenin 7-O-apiosyl-glucoside |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavones |
| Family | Flavones |
| Synonyms | Apiin |
| Chemical Formula | C26H28O14 |
| Aglycones | Apigenin |
| PubChem ID | 16211399 |
| CAS ID | 26544-34-3 |
| ChEBI ID | 15932 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H]1O |
Apigenin 7-O-apiosyl-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 |
|---|---|---|---|---|---|---|---|
| 564.5 | 8 | 14 | 228.97 | -0.74 | 40 | 7 | 463.1 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| -0.928 | 228.475 | 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 | Equivocal | No Hit |
| TOPKAT | Carcinogen | No Hit | Non - Mutagen | No Hit | Toxic |
| VEGA | Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.