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CHEBI:6641 - (S)-magnoflorine

ChEBI IDCHEBI:6641
ChEBI Name(S)-magnoflorine
Stars
ASCII Name(S)-magnoflorine
DefinitionAn aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group.
Last Modified4 January 2017
DownloadsMolfile
FormulaC20H24NO4
Net Charge+1
Average Mass342.415
Monoisotopic Mass342.16998
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c(O)c(OC)cc(c31)CC[N+]2(C)C
InChIInChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
InChIKeyYLRXAIKMLINXQY-ZDUSSCGKSA-O
Wikipedia
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
(S)-magnoflorine (CHEBI:6641) has functional parent (S)-corytuberine (CHEBI:81200)
(S)-magnoflorine (CHEBI:6641) has role plant metabolite (CHEBI:76924)
(S)-magnoflorine (CHEBI:6641) is a aporphine alkaloid (CHEBI:134209)
(S)-magnoflorine (CHEBI:6641) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium
Synonyms  Source
(+)-magnoflorineChemIDplus
magnoflorineChemIDplus
UniProt Name  Source
magnoflorineUniProt
Manual XrefsDatabases
C09581KEGG COMPOUND
C00001885KNApSAcK
CPD-9936MetaCyc
MagnoflorineWikipedia
Registry NumbersSources
Reaxys:1553619Reaxys
CAS:2141-09-5KEGG COMPOUND
CAS:2141-09-5ChemIDplus
Citations