| ID | 1734 |
| Name | Cepharanthine |
| Pubchem ID | 10206 |
| KEGG ID | D01035 |
| Source | Stephania erecta |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | No |
| Molecular Weight | 606.71 |
| Exact mass | 606.272987 |
| Molecular formula | C37H38N2O6 |
| XlogP | 6.5 |
| Topological Polar Surface Area | 61.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
| Isomeric SMILE | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1985 |
| Name | Daphnandrine |
| Pubchem ID | 442214 |
| KEGG ID | C09415 |
| Source | Stephania erecta |
| 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. Likhitwitayawuid,J.Nat.Prod.,56,(1993),30 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2848 |
| Name | OBABERINE |
| Pubchem ID | 100231 |
| KEGG ID | C09596 |
| Source | Stephania erecta |
| Type | Natural |
| Function | Antitrypanosomal |
| Drug Like Properties | No |
| Molecular Weight | 622.75 |
| Exact mass | 622.304287 |
| Molecular formula | C38H42N2O6 |
| XlogP | 6.7 |
| Topological Polar Surface Area | 61.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| 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=C7CCN6C)OC)O3)OC)OC)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=C7CCN6C)OC)O3)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Likhitwitayawuid,J.Nat.Prod.,56,(1993),30 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |