CHEBI:18146 - (R)-canadine

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ChEBI Name (R)-canadine
ChEBI ID CHEBI:18146
ChEBI ASCII Name (R)-canadine
Definition A canadine which has R configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10998, CHEBI:337
Supplier Information
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Formula C20H21NO4
Net Charge 0
Average Mass 339.38500
Monoisotopic Mass 339.14706
InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
InChIKey VZTUIEROBZXUFA-MRXNPFEDSA-N
SMILES [H][C@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc3OCOc3cc21
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 (R)-canadine (CHEBI:18146) is a canadine (CHEBI:22998)
(R)-canadine (CHEBI:18146) is enantiomer of (S)-canadine (CHEBI:16592)
Incoming (S)-canadine (CHEBI:16592) is enantiomer of (R)-canadine (CHEBI:18146)
IUPAC Name
(13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
Synonyms Sources
(R)-Canadine KEGG COMPOUND
(R)-canadine UniProt
Manual Xref Database
C11818 KEGG COMPOUND
View more database links
Registry Number Type Source
96685 Beilstein Registry Number Beilstein
Last Modified
13 November 2017