CHEBI:81051 - Cycleanine

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ChEBI Name Cycleanine
ChEBI ID CHEBI:81051
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000000004360
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Formula C38H42N2O6
Net Charge 0
Average Mass 622.74990
Monoisotopic Mass 622.30429
InChI InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChIKey ANOXEUSGZWSCQL-LOYHVIPDSA-N
SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1OC)c23)cc7)c56)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 Cycleanine (CHEBI:81051) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Cycleanine (CHEBI:81051) is a isoquinolines (CHEBI:24922)
Manual Xref Database
C17387 KEGG COMPOUND
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Registry Number Type Source
518-94-5 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016