CHEBI:68990 - canadaline

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ChEBI Name canadaline
ChEBI ID CHEBI:68990
Definition A natural product found in Corydalis cava and Hydrastis canadensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H23NO5
Net Charge 0
Average Mass 369.41100
Monoisotopic Mass 369.15762
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(22)8-13-4-5-18(24-2)21(25-3)16(13)11-23/h4-5,9-11,17H,6-8,12H2,1-3H3/t17-/m1/s1
InChIKey ROAHDZJDHGLGBA-QGZVFWFLSA-N
SMILES COc1ccc(C[C@H]2N(C)CCc3cc4OCOc4cc23)c(C=O)c1OC
Metabolite of Species Details
Corydalis cava (IPNI:672129-1) See: PubMed
Hydrastis canadensis (NCBI:txid13569) See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing canadaline (CHEBI:68990) has role metabolite (CHEBI:25212)
canadaline (CHEBI:68990) is a isoquinolines (CHEBI:24922)
Synonyms Sources
(-)-canadaline(R) ChEBI
2,3-dimethoxy-6-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde ChEBI
Citation Waiting for Citations Type Source
22029392 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:isoquinolines(CHEBI:24922); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:benzaldehydes(CHEBI:22698); ISA:carbonyl compound(CHEBI:36586); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:arenecarbaldehyde(CHEBI:33855); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769);