| Pubchem ID | 49869549 |
|---|---|
| CAS | 1190229-37-8 |
| IUPAC name | 1-(2-hydroxy-4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O |
| InCheykey | InChI=1S/C15H15NO3/c1-19-12-6-7-13(15(18)10-12)14(17)8-5-11-4-2-3-9-16-11/h2-4,6-7,9-10,18H,5,8H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 257.289 | 1 | 4 | 5 | 59.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |