| ID | 1983 |
| Name | Daphnandrine |
| Pubchem ID | 442214 |
| KEGG ID | C09415 |
| Source | Daphnandra micrantha |
| Type | Natural |
| Function | Antiprotozoal |
| Drug Like Properties | No |
| Molecular Weight | 594.70 |
| Exact mass | 594.272987 |
| Molecular formula | C36H38N2O6 |
| XlogP | 5.9 |
| Topological Polar Surface Area | 81.7 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 3 |
| 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)OC)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)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
| ID | 1988 |
| Name | Daphnoline |
| Pubchem ID | 261477 |
| KEGG ID | C09418 |
| Source | Daphnandra micrantha |
| 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 |