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CHEBI:17772 - (S)-tetrahydrocolumbamine

ChEBI IDCHEBI:17772
ChEBI Name(S)-tetrahydrocolumbamine
Stars
ASCII Name(S)-tetrahydrocolumbamine
DefinitionA berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration.
Secondary ChEBI IDsCHEBI:2008, CHEBI:11075, CHEBI:12085, CHEBI:18803
Last Modified8 April 2015
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILES[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(O)cc12
InChIInChI=1S/C20H23NO4/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/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKeyKDFKJOFJHSVROC-INIZCTEOSA-N
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)
(S)-tetrahydrocolumbamine (CHEBI:17772) has functional parent columbamine (CHEBI:15920)
(S)-tetrahydrocolumbamine (CHEBI:17772) is a berberine alkaloid (CHEBI:22754)
(S)-tetrahydrocolumbamine (CHEBI:17772) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
(13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol
Synonyms  Source
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-olChEBI
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-olKEGG COMPOUND
5,8,13,13a-TetrahydrocolumbamineKEGG COMPOUND
IsocorypalmineKEGG COMPOUND
(S)-tetrahydrocolumbamineChEBI
(S)-TetrahydrocolumbamineKEGG COMPOUND
UniProt Name  Source
(S)-tetrahydrocolumbamineUniProt
Manual XrefsDatabases
C00025632KNApSAcK
C04118KEGG COMPOUND
C04118KEGG COMPOUND
Registry NumbersSources
Reaxys:4717587Reaxys
CAS:483-34-1KEGG COMPOUND