CHEBI:134217 - N-methylbulbocapnine(1+)

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ChEBI Name N-methylbulbocapnine(1+)
ChEBI ID CHEBI:134217
ChEBI ASCII Name N-methylbulbocapnine(1+)
Definition A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of bulbocapnine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C20H22NO4
Net Charge +1
Average Mass 340.394
Monoisotopic Mass 340.15433
InChI InChI=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
InChIKey PQVMQKAGJGBKQC-ZDUSSCGKSA-O
SMILES C12=C3[C@](CC4=C1C(=C(OC)C=C4)O)([N+](CCC3=CC5=C2OCO5)(C)C)[H]
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 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
Synonyms Sources
(S)-N-methylbulbocapnine UniProt
(S)-N-methylbulbocapnine(1+) ChEBI
Citation Waiting for Citations Type Source
27573242 PubMed citation SUBMITTER
Last Modified
12 April 2017