CHEBI:3300 - Calafatimine

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ChEBI Name Calafatimine
ChEBI ID CHEBI:3300
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H40N2O7
Net Charge 0
Average Mass 636.735
Monoisotopic Mass 636.28355
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
SMILES COc1cc2CCN=C3Cc4ccc(Oc5c(OC)ccc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)c5OC)cc4
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Calafatimine (CHEBI:3300) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Calafatimine (CHEBI:3300) is a isoquinolines (CHEBI:24922)
Synonym Source
Calafatimine KEGG COMPOUND
Manual Xrefs Databases
C00001826 KNApSAcK
C09369 KEGG COMPOUND
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Registry Number Type Source
77793-42-1 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016