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CHEBI:15920 - columbamine

ChEBI IDCHEBI:15920
ChEBI Namecolumbamine
Stars
Secondary ChEBI IDsCHEBI:3827, CHEBI:14014, CHEBI:23363
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20NO4
Net Charge+1
Average Mass338.383
Monoisotopic Mass338.13868
SMILESCOc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
InChIInChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChIKeyYYFOFDHQVIODOQ-UHFFFAOYSA-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)
columbamine (CHEBI:15920) is a berberine alkaloid (CHEBI:22754)
columbamine (CHEBI:15920) is a organic heterotetracyclic compound (CHEBI:38163)
Incoming Relation(s)
(S)-tetrahydrocolumbamine (CHEBI:17772) has functional parent columbamine (CHEBI:15920)
IUPAC Name 
2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
Synonyms  Source
ColumbamineKEGG COMPOUND
5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinoliziniumChEBI
UniProt Name  Source
columbamineUniProt
Manual XrefsDatabases
C01795KEGG COMPOUND
C01795KEGG COMPOUND
C00024667KNApSAcK
Registry NumbersSources
CAS:3621-36-1KEGG COMPOUND