EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3063 - Berbamine
| Formula | C37H40N2O6 |
| Net Charge | 0 |
| Average Mass | 608.735 |
| Monoisotopic Mass | 608.28864 |
| SMILES | COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 |
| InChI | 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/t28-,29+/m0/s1 |
| InChIKey | DFOCUWZXJBAUSQ-URLMMPGGSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Berbamine (CHEBI:3063) is a bisbenzylisoquinoline alkaloid (CHEBI:133004) |
| Berbamine (CHEBI:3063) is a isoquinolines (CHEBI:24922) |
| Synonym | Source |
|---|---|
| Berbamine | KEGG COMPOUND |