| ID | 1322 |
| Name | Berbamunine |
| Pubchem ID | 440585 |
| KEGG ID | C05177 |
| Source | Stephania pierrei |
| Type | Natural |
| Function | Cytotoxic |
| Drug Like Properties | No |
| Molecular Weight | 596.71 |
| Exact mass | 596.288637 |
| Molecular formula | C36H40N2O6 |
| XlogP | 6 |
| Topological Polar Surface Area | 94.9 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 8 |
| IUPAC Name | (1R)-1-[[4-hydroxy-3-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |