(S)-tetrahydrocolumbamine (CHEBI:17772)

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ChEBI Name	(S)-tetrahydrocolumbamine

ChEBI ID	CHEBI:17772

ChEBI ASCII Name	(S)-tetrahydrocolumbamine

Definition	A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:12085, CHEBI:11075, CHEBI:2008, CHEBI:18803

Supplier Information

Download	Molfile XML SDF

Formula

C20H23NO4

Net Charge

Average Mass

341.40096

Monoisotopic Mass

341.16271

InChI

InChI=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

InChIKey

KDFKJOFJHSVROC-INIZCTEOSA-N

SMILES

[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(O)cc21

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 )

ChEBI Ontology
Outgoing	(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	Sources
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol	ChEBI
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol	KEGG COMPOUND
(S)-tetrahydrocolumbamine	ChEBI
(S)-Tetrahydrocolumbamine	KEGG COMPOUND
(S)-tetrahydrocolumbamine	UniProt
5,8,13,13a-Tetrahydrocolumbamine	KEGG COMPOUND
Isocorypalmine	KEGG COMPOUND

Last Modified

08 April 2015