| ID | 2468 |
| Name | Isotrilobine-N-2-oxide |
| Pubchem ID | 5318682 |
| KEGG ID | N/A |
| Source | Cocculus trilobus |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 592.68 |
| Exact mass | 592.257337 |
| Molecular formula | C36H36N2O6 |
| XlogP | 5.8 |
| Topological Polar Surface Area | 72.5 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CC[N+]7(C)[O-])O4)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CC[N+]7(C)[O-])O4)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |