CHEBI:31030 - (−)-tortuosamine

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ChEBI Name (−)-tortuosamine
ChEBI ID CHEBI:31030
ChEBI ASCII Name (-)-tortuosamine
Definition 5,6,7,8-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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H26N2O2
Net Charge 0
Average Mass 326.43260
Monoisotopic Mass 326.199
InChI InChI=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
InChIKey QFRVOGLOHJOHAY-HXUWFJFHSA-N
SMILES CNCC[C@@]1(CCc2ncccc2C1)c1ccc(OC)c(OC)c1
Roles Classification
Biological Role(s): 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.
(via alkaloid )
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ChEBI Ontology
Outgoing (−)-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 Sources
(-)-Tortuosamine KEGG COMPOUND
Tortuosamine KEGG COMPOUND
Manual Xref Database
C12260 KEGG COMPOUND
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Registry Number Type Source
8075592 Beilstein Registry Number Beilstein
Last Modified
25 March 2015