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CHEBI:132186 - celacinnine

ChEBI IDCHEBI:132186
ChEBI Namecelacinnine
Stars
DefinitionA spermidine alkaloid that is isolated from Maytenus heterophylla and Maytenus senegalensis.
Last Modified7 March 2018
Submitterliuqingping
DownloadsMolfile
FormulaC25H31N3O2
Net Charge0
Average Mass405.542
Monoisotopic Mass405.24163
SMILESO=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)/C=C/c2ccccc2)CCCN1
InChIInChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
InChIKeyOROFOUPCOTVAJQ-NSFRLNINSA-N
Species of MetaboliteComponentSourceComments
Maytenus senegalensis (ncbitaxon:256095) - PubMed (22470236)
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)
celacinnine (CHEBI:132186) has role plant metabolite (CHEBI:76924)
celacinnine (CHEBI:132186) is a enamide (CHEBI:51751)
celacinnine (CHEBI:132186) is a lactam (CHEBI:24995)
celacinnine (CHEBI:132186) is a secondary carboxamide (CHEBI:140325)
celacinnine (CHEBI:132186) is a spermidine alkaloid (CHEBI:38524)
celacinnine (CHEBI:132186) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
Synonyms  Source
(−)-celacinnineChEBI
(S)-(−)-celacinnineChEBI
(S)-celacinnineChEBI
Registry NumbersSources
Reaxys:4720682Reaxys
CAS:53938-05-9ChemIDplus
Citations