CHEBI:15920 - columbamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name columbamine
ChEBI ID CHEBI:15920
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3827, CHEBI:14014, CHEBI:23363
Supplier Information
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Formula C20H20NO4
Net Charge +1
Average Mass 338.37714
Monoisotopic Mass 338.139
InChI InChI=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
InChIKey YYFOFDHQVIODOQ-UHFFFAOYSA-O
SMILES COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O
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 columbamine (CHEBI:15920) is a berberine alkaloid (CHEBI:22754)
columbamine (CHEBI:15920) is a organic heterotetracyclic compound (CHEBI:38163)
Incoming (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 Sources
5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium ChEBI
Columbamine KEGG COMPOUND
columbamine UniProt
Manual Xrefs Databases
C00024667 KNApSAcK
C01795 KEGG COMPOUND
View more database links
Registry Number Type Source
3621-36-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014