CHEBI:49 - (+)-Tetrandrine

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ChEBI Name (+)-Tetrandrine
ChEBI ID CHEBI:49
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C38H42N2O6
C38H42N2O6
Net Charge 0
Average Mass 622.751
Monoisotopic Mass 622.304
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/t29-,30-/m0/s1
InChIKey WVTKBKWTSCPRNU-KYJUHHDHSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](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 )
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ChEBI Ontology
Outgoing (+)-Tetrandrine (CHEBI:49) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
(+)-Tetrandrine (CHEBI:49) is a isoquinolines (CHEBI:24922)
Synonyms Sources
(+)-Tetrandrine KEGG COMPOUND
Tetrandrine KEGG COMPOUND
Database Links Databases
C00001919 KNApSAcK
C00025278 KNApSAcK
C09654 KEGG COMPOUND
LSM-6539 LINCS
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Registry Number Type Source
518-34-3 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016