CHEBI:132186 - celacinnine

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ChEBI Name celacinnine
ChEBI ID CHEBI:132186
Definition A spermidine alkaloid that is isolated from Maytenus heterophylla and Maytenus senegalensis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C25H31N3O2
Net Charge 0
Average Mass 405.533
Monoisotopic Mass 405.24163
InChI InChI=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
InChIKey OROFOUPCOTVAJQ-NSFRLNINSA-N
SMILES C1C(NCCCN(CCCCN[C@@H]1C=2C=CC=CC2)C(/C=C/C=3C=CC=CC3)=O)=O
Metabolite of Species Details
Maytenus senegalensis (NCBI:txid256095) See: PubMed
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(−)-celacinnine ChEBI
(S)-(−)-celacinnine ChEBI
(S)-celacinnine ChEBI
Registry Numbers Types Sources
4720682 Reaxys Registry Number Reaxys
53938-05-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22470236 PubMed citation Europe PMC
26487315 PubMed citation Europe PMC
6452921 PubMed citation SUBMITTER
Last Modified
07 March 2018