| ID | 3435 |
| Name | Toxiferine |
| Pubchem ID | 5281411 |
| KEGG ID | C09246 |
| Source | Strychnos froesii |
| Type | Natural |
| Function | Neuromuscular blocking agent |
| Drug Like Properties | No |
| Molecular Weight | 614.82 |
| Exact mass | 614.362077 |
| Molecular formula | C40H46N4O2+2 |
| XlogP | 1.8 |
| Topological Polar Surface Area | 46.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16 |
| Isomeric SMILE | C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=CN7[C@H]8/C(=C6)/[C@@H]9/C(=CCO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=CCO)/C1)CC2 |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20 2. Source 3. Function 4. All Records |