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CHEBI:134215 - bulbocapnine(1+)

ChEBI IDCHEBI:134215
ChEBI Namebulbocapnine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of bulbocapnine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified6 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H20NO4
Net Charge+1
Average Mass326.372
Monoisotopic Mass326.13868
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c4c(cc(c31)CC[NH+]2C)OCO4
InChIInChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/p+1/t12-/m0/s1
InChIKeyLODGIKWNLDQZBM-LBPRGKRZSA-O
ChEBI Ontology
Outgoing Relation(s)
bulbocapnine(1+) (CHEBI:134215) is a ammonium ion derivative (CHEBI:35274)
bulbocapnine(1+) (CHEBI:134215) is a organic cation (CHEBI:25697)
bulbocapnine(1+) (CHEBI:134215) is conjugate acid of bulbocapnine (CHEBI:3211)
Incoming Relation(s)
bulbocapnine (CHEBI:3211) is conjugate base of bulbocapnine(1+) (CHEBI:134215)
IUPAC Name 
(7aS)-12-hydroxy-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-7-ium
Synonyms  Source
(+)-bulbocapnineSUBMITTER
(S)-bulbocapnine(1+)ChEBI
UniProt Name  Source
(S)-bulbocapnineUniProt