| Pubchem ID | 135301567 |
|---|---|
| CAS | 68916-12-1 |
| IUPAC name | 8-(2,4,6-trimethylphenyl)spiro[5H-benzo[h]quinoline-6,3'-cyclooctane]-1',5'-dione |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1=CC(=C(C(=C1)C)C2=CC3=C(C=C2)C4=C(CC35CC(=O)CCCC(=O)C5)C=CC=N4)C |
| InCheykey | InChI=1S/C29H29NO2/c1-18-12-19(2)27(20(3)13-18)21-9-10-25-26(14-21)29(15-22-6-5-11-30-28(22)25)16-23(31)7-4-8-24(32)17-29/h5-6,9-14H,4,7-8,15-17H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 423.556 | 0 | 3 | 1 | 47.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Very Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |