nigerazine A (CHEBI:133755)

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ChEBI Name	nigerazine A

ChEBI ID	CHEBI:133755

Definition	An enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2R,5R)-1,2,5-trimethylpiperazine.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Julian Brandl

Supplier Information

Download	Molfile XML SDF

Formula

C16H22N2O

Net Charge

Average Mass

258.359

Monoisotopic Mass

258.17321

InChI

InChI=1S/C16H22N2O/c1-13-12-18(14(2)11-17(13)3)16(19)10-9-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/b10-9+/t13-,14-/m1/s1

InChIKey

MIGGJPIAMPJCES-NPUYYSGSSA-N

SMILES

C1N([C@@H](CN([C@@H]1C)C)C)C(/C=C/C=2C=CC=CC2)=O

Metabolite of Species	Details
Aspergillus niger (NCBI:txid5061)	of strain I-639 See: DOI

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	nigerazine A (CHEBI:133755) has functional parent trans-cinnamic acid (CHEBI:35697) nigerazine A (CHEBI:133755) has role Aspergillus metabolite (CHEBI:76956) nigerazine A (CHEBI:133755) is a N-acylpiperazine (CHEBI:46844) nigerazine A (CHEBI:133755) is a N-alkylpiperazine (CHEBI:46845) nigerazine A (CHEBI:133755) is a alkaloid (CHEBI:22315) nigerazine A (CHEBI:133755) is a enamide (CHEBI:51751) nigerazine A (CHEBI:133755) is a tertiary carboxamide (CHEBI:140326)

IUPAC Name

(2E)-3-phenyl-1-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one

Registry Number	Type	Source
6893074	Reaxys Registry Number	Reaxys

Last Modified

07 March 2018