CHEBI:2670 - ammodendrine

ChEBI IDCHEBI:2670
ChEBI Nameammodendrine
Stars
DefinitionA piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer).
Last Modified15 September 2023
DownloadsMolfile
FormulaC12H20N2O
Net Charge0
Average Mass208.305
Monoisotopic Mass208.15756
SMILES[H][C@]1(C2=CN(C(C)=O)CCC2)CCCCN1
InChIInChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3/t12-/m1/s1
InChIKeyAPKLQIQRPUDADG-GFCCVEGCSA-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.
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
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)
ammodendrine (CHEBI:2670) has role plant metabolite (CHEBI:76924)
ammodendrine (CHEBI:2670) has role teratogenic agent (CHEBI:50905)
ammodendrine (CHEBI:2670) is a N-acylpiperidine (CHEBI:48591)
ammodendrine (CHEBI:2670) is a acetamides (CHEBI:22160)
ammodendrine (CHEBI:2670) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name 
1-{1,2,3,4-tetrahydro-5-[(2R)-piperidin-2-yl]pyridin-1-yl}ethanone
Synonyms  Source
ammodendrineKEGG COMPOUND
spherocarpineKEGG COMPOUND
1-acetyl-5-[(2R)-piperidin-2-yl]-1,2,3,4-tetrahydropyridineIUPAC
(+)-spherocarpineKNApSAcK
(+)-ammodendrineKNApSAcK
isoammodendrinChEBI
Manual XrefsDatabases
C10125KEGG COMPOUND
C00002014KNApSAcK
Registry NumbersSources
Reaxys:84618Reaxys
CAS:494-15-5NIST Chemistry WebBook
CAS:494-15-5ChemIDplus
Citations