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CHEBI:75 - (−)-anaferine

ChEBI IDCHEBI:75
ChEBI Name(−)-anaferine
Stars
ASCII Name(-)-anaferine
DefinitionA piperidine alkaloid that is piperidine substituted by a 2-oxo-3-[(2R)-piperidin-2-yl]propyl group at position 2.
Last Modified29 January 2015
DownloadsMolfile
FormulaC13H24N2O
Net Charge0
Average Mass224.348
Monoisotopic Mass224.18886
SMILES[H][C@]1(CC(=O)C[C@@]2([H])CCCCN2)CCCCN1
InChIInChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m1/s1
InChIKeyJFMCQBGTUJUOAB-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Withania somnifera (ncbitaxon:126910) - Article (Phytochemical Dictionary Second Edition,Taylor and Francis, (1999), Chapter 25)
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)
(−)-anaferine (CHEBI:75) has role plant metabolite (CHEBI:76924)
(−)-anaferine (CHEBI:75) is a ketone (CHEBI:17087)
(−)-anaferine (CHEBI:75) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name 
1,3-di-(2R)-piperidin-2-ylacetone
Synonym  Source
(-)-AnaferineKEGG COMPOUND
Manual XrefsDatabases
C11358KEGG COMPOUND
C00002016KNApSAcK
Registry NumbersSources
CAS:19519-55-2KEGG COMPOUND