| ID | 3034 |
| Name | Psychotrine |
| Pubchem ID | 5462438 |
| KEGG ID | C09612 |
| Source | Cephaelis ipecacuanha |
| Type | Natural |
| Function | Anti-amoebic |
| Drug Like Properties | Yes |
| Molecular Weight | 464.60 |
| Exact mass | 464.267508 |
| Molecular formula | C28H36N2O4 |
| XlogP | 4 |
| Topological Polar Surface Area | 60 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 6 |
| IUPAC Name | 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC |
| Isomeric SMILE | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |