| Compound | Berbamine |
| NPACT-Id | NPACT00318 |
| IUPAC | - |
| Synonyms | BERBAMINE ;6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol ;(+)-Berbamine ;Berbenine ;d-Berbamine |
| PubChem Id | 10170 |
| Class | Alkaloids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | birc5a | CHUK | NFKB1 | NFKBIA | All | |
| Properties | Physical Elemental Topological |
| InChi Key | DFOCUWZXJBAUSQ-UHFFFAOYSA-N |
| InChi | 1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3 |
| SMILES | O1c2c3[C@@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(O)cc2 |
|
SMART | [H]OC1=C2OC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[C@]3([H])[N@@](C([H])([H])[H])C([H])([H])C([H])([H])C4=C([H])C(OC([H])([H])[H])=C(OC5=C6C(=C([H])C(OC([H])([H])[H])=C5OC([H])([H])[H])C([H])([H])C([H])([H])[N@](C([H])([H])[H])[C@@]6([H])C([H])([H])C(C([H])=C1[H])=C2[H])C([H])=C34 |
| CAS No. | 478-61-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000478615 |
| CTD | C027870 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, ChemFrog, ChemMol, Hangzhou APIChem Technology, Vitas-M Laboratory, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |