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CHEBI:134217 - N-methylbulbocapnine(1+)

ChEBI IDCHEBI:134217
ChEBI NameN-methylbulbocapnine(1+)
Stars
ASCII NameN-methylbulbocapnine(1+)
DefinitionA aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of bulbocapnine.
Last Modified12 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H22NO4
Net Charge+1
Average Mass340.399
Monoisotopic Mass340.15433
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c4c(cc(c31)CC[N+]2(C)C)OCO4
InChIInChI=1S/C20H21NO4/c1-21(2)7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(23-3)19(22)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3/p+1/t13-/m0/s1
InChIKeyPQVMQKAGJGBKQC-ZDUSSCGKSA-O
Roles Classification
Biological Role:
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)
N-methylbulbocapnine(1+) (CHEBI:134217) has functional parent bulbocapnine (CHEBI:3211)
N-methylbulbocapnine(1+) (CHEBI:134217) is a aporphine alkaloid (CHEBI:134209)
N-methylbulbocapnine(1+) (CHEBI:134217) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(7aS)-12-hydroxy-11-methoxy-7,7-dimethyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-7-ium
Synonym  Source
(S)-N-methylbulbocapnine(1+)ChEBI
UniProt Name  Source
(S)-N-methylbulbocapnineUniProt
Citations