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CHEBI:80898 - Isotetrandrine

ChEBI IDCHEBI:80898
ChEBI NameIsotetrandrine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC38H42N2O6
Net Charge0
Average Mass622.762
Monoisotopic Mass622.30429
SMILESCOc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3
InChIInChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
InChIKeyWVTKBKWTSCPRNU-UHFFFAOYSA-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)
Isotetrandrine (CHEBI:80898) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Isotetrandrine (CHEBI:80898) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
C17060KEGG COMPOUND
HMDB0030174HMDB
Registry NumbersSources
CAS:477-57-6KEGG COMPOUND