| ID | 1987 |
| Name | Daphnoline |
| Pubchem ID | 261477 |
| KEGG ID | C09418 |
| Source | Cocculus trilobus |
| Type | Natural |
| Function | Antiparasitic |
| Drug Like Properties | No |
| Molecular Weight | 580.67 |
| Exact mass | 580.257337 |
| Molecular formula | C35H36N2O6 |
| XlogP | 5.5 |
| Topological Polar Surface Area | 92.7 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
| 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 |
| ID | 3447 |
| Name | Trilobine |
| Pubchem ID | 169007 |
| KEGG ID | C09669 |
| Source | Cocculus trilobus |
| Type | Natural |
| Function | Antiplatelet |
| Drug Like Properties | No |
| Molecular Weight | 562.65 |
| Exact mass | 562.246772 |
| Molecular formula | C35H34N2O5 |
| XlogP | 5.9 |
| Topological Polar Surface Area | 61.4 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
| Isomeric SMILE | CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |