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CHEBI:35643 - aporphine

ChEBI IDCHEBI:35643
ChEBI Nameaporphine
Stars
DefinitionAn isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Last Modified4 January 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H17N
Net Charge0
Average Mass235.330
Monoisotopic Mass235.13610
SMILESCN1CCc2cccc3c2C1Cc1ccccc1-3
InChIInChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3
InChIKeyBZKUYNBAFQJRDM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
aporphine (CHEBI:35643) is a aporphine alkaloid (CHEBI:134209)
aporphine (CHEBI:35643) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
aporphine (CHEBI:35643) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
7-Chloro-6-demethylcepharadione B (CHEBI:190066) has functional parent aporphine (CHEBI:35643)
7-oxohernangerine (CHEBI:66841) has functional parent aporphine (CHEBI:35643)
Aristolodione (CHEBI:174938) has functional parent aporphine (CHEBI:35643)
bulbocapnine (CHEBI:3211) has functional parent aporphine (CHEBI:35643)
Cepharadione B (CHEBI:188963) has functional parent aporphine (CHEBI:35643)
laurolistine (CHEBI:66557) has functional parent aporphine (CHEBI:35643)
lindechunine A (CHEBI:66577) has functional parent aporphine (CHEBI:35643)
liriodenine (CHEBI:70649) has functional parent aporphine (CHEBI:35643)
oxonantenine (CHEBI:70651) has functional parent aporphine (CHEBI:35643)
(−)-annonaine (CHEBI:76) has parent hydride aporphine (CHEBI:35643)
apomorphine (CHEBI:48538) has parent hydride aporphine (CHEBI:35643)
isothebaine (CHEBI:6066) has parent hydride aporphine (CHEBI:35643)
IUPAC Name 
aporphine
Synonym  Source
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolineIUPAC
Registry NumbersSources
Beilstein:192257Beilstein
CAS:478-57-9ChemIDplus