| ID | 1310 |
| Name | Berbamine |
| Pubchem ID | 275182 |
| KEGG ID | C09357 |
| Source | Berberis oblonga |
| Type | Natural |
| Function | Vasodilator |
| Drug Like Properties | No |
| Molecular Weight | 608.72 |
| Exact mass | 608.288637 |
| Molecular formula | C37H40N2O6 |
| XlogP | 6.1 |
| Topological Polar Surface Area | 72.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 3 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Khamidov,Chem.Hat.Compd.,39,(2003),407 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |