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CHEBI:81051 - Cycleanine

ChEBI IDCHEBI:81051
ChEBI NameCycleanine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC38H42N2O6
Net Charge0
Average Mass622.762
Monoisotopic Mass622.30429
SMILES[H][C@@]12Cc3ccc(cc3)Oc3c(OC)c(OC)cc4c3[C@@]([H])(Cc3ccc(cc3)Oc3c(OC)c(OC)cc(c31)CCN2C)N(C)CC4
InChIInChI=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
InChIKeyANOXEUSGZWSCQL-LOYHVIPDSA-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)
Cycleanine (CHEBI:81051) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Cycleanine (CHEBI:81051) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
C17387KEGG COMPOUND
Registry NumbersSources
CAS:518-94-5KEGG COMPOUND