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CHEBI:3300 - Calafatimine
| Formula | C38H40N2O7 |
| Net Charge | 0 |
| Average Mass | 636.745 |
| Monoisotopic Mass | 636.28355 |
| SMILES | COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC)c(c1OC)Oc1ccc(cc1)CC3=NCC2)N(C)CC4 |
| InChI | InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1 |
| InChIKey | VQYWPFJBVAHLLO-GDLZYMKVSA-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) |
| Calafatimine (CHEBI:3300) is a bisbenzylisoquinoline alkaloid (CHEBI:133004) |
| Calafatimine (CHEBI:3300) is a isoquinolines (CHEBI:24922) |
| Synonym | Source |
|---|---|
| Calafatimine | KEGG COMPOUND |