CHEBI:141633 - (S)-1-hydroxy-N-methylcanadine

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ChEBI Name (S)-1-hydroxy-N-methylcanadine
ChEBI ID CHEBI:141633
ChEBI ASCII Name (S)-1-hydroxy-N-methylcanadine
Definition A quaternary ammonium ion that is (S)-N-methylcanadine in which the hydrogen at position 14 is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H24NO5
Net Charge +1
Average Mass 370.420
Monoisotopic Mass 370.16490
InChI InChI=1S/C21H23NO5/c1-22-7-6-13-9-17-21(27-11-26-17)19(23)18(13)15(22)8-12-4-5-16(24-2)20(25-3)14(12)10-22/h4-5,9,15H,6-8,10-11H2,1-3H3/p+1/t15-,22?/m0/s1
InChIKey FJOUYKHTSXWRMH-UEDXYCIISA-O
SMILES C1=C2CC[N+]3(CC4=C(C[C@]3(C2=C(C=5OCOC15)O)[H])C=CC(=C4OC)OC)C
Metabolite of Species Details
Papaver somniferum (NCBI:txid3469) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) has functional parent (S)-N-methylcanadine (CHEBI:16512)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) has role plant metabolite (CHEBI:76924)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a alkaloid (CHEBI:22315)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a cyclic acetal (CHEBI:59770)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a organic heteropentacyclic compound (CHEBI:38164)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a organic hydroxy compound (CHEBI:33822)
(S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a quaternary ammonium ion (CHEBI:35267)
Incoming (S)-1-hydroxy-cis-N-methylcanadine (CHEBI:194530) is a (S)-1-hydroxy-N-methylcanadine (CHEBI:141633)
IUPAC Name
(13aS)-14-hydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
Synonym Source
(S)-1-hydroxy-N-methylcanadine UniProt
Manual Xrefs Databases
C00051845 KNApSAcK
C21586 KEGG COMPOUND
CPD-21506 MetaCyc
View more database links
Registry Number Type Source
27957435 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24324259 PubMed citation SUBMITTER
25485687 PubMed citation Europe PMC
29610307 PubMed citation SUBMITTER
Last Modified
23 August 2018