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CHEBI:31030 - (−)-tortuosamine

ChEBI IDCHEBI:31030
ChEBI Name(−)-tortuosamine
Stars
ASCII Name(-)-tortuosamine
Definition5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum).
Last Modified25 March 2015
DownloadsMolfile
FormulaC20H26N2O2
Net Charge0
Average Mass326.440
Monoisotopic Mass326.19943
SMILESCNCC[C@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1
InChIInChI=1S/C20H26N2O2/c1-21-12-10-20(9-8-17-15(14-20)5-4-11-22-17)16-6-7-18(23-2)19(13-16)24-3/h4-7,11,13,21H,8-10,12,14H2,1-3H3/t20-/m1/s1
InChIKeyQFRVOGLOHJOHAY-HXUWFJFHSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
(−)-tortuosamine (CHEBI:31030) has role plant metabolite (CHEBI:76924)
(−)-tortuosamine (CHEBI:31030) is a quinoline alkaloid (CHEBI:26509)
IUPAC Name 
2-[(6S)-6-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-6-yl]-N-methylethanamine
Synonyms  Source
(-)-TortuosamineKEGG COMPOUND
TortuosamineKEGG COMPOUND
Manual XrefsDatabases
C12260KEGG COMPOUND
Registry NumbersSources
Beilstein:8075592Beilstein