| Pubchem ID | 145858 |
|---|---|
| CAS | 11029-12-2 |
| IUPAC name | 2-phenylchromenylium |
| Synonyms | Flavylium|Anthocyanins|Grape skin extract|2-phenylchromenylium|Anthocyanins, grape|Oenocyanin|Enocianina|Anthocyanidins|Enocianina concentrate |
| Categories | Color |
| SMILES | C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 |
| InCheykey | InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1 |
| Natural | nan |
| E No. | E163 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 207.252 | 0 | 0 | 1 | 1.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |