CHEBI:80898 - Isotetrandrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isotetrandrine
ChEBI ID CHEBI:80898
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H42N2O6
Net Charge 0
Average Mass 622.74990
Monoisotopic Mass 622.30429
InChI InChI=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
InChIKey WVTKBKWTSCPRNU-UHFFFAOYSA-N
SMILES COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6C(Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isotetrandrine (CHEBI:80898) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Isotetrandrine (CHEBI:80898) is a isoquinolines (CHEBI:24922)
Manual Xrefs Databases
C17060 KEGG COMPOUND
HMDB0030174 HMDB
View more database links
Registry Number Type Source
477-57-6 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016