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CHEBI:66631 - NK372135A

ChEBI IDCHEBI:66631
ChEBI NameNK372135A
Stars
DefinitionA dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 4-methoxybenzylidene groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity.
Last Modified16 April 2013
DownloadsMolfile
FormulaC20H18N2O2
Net Charge0
Average Mass318.376
Monoisotopic Mass318.13683
SMILESCOc1ccc(/C=C(\C#N)C(C#N)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H18N2O2/c1-23-19-7-3-15(4-8-19)11-17(13-21)18(14-22)12-16-5-9-20(24-2)10-6-16/h3-11,18H,12H2,1-2H3/b17-11+
InChIKeyQUPRNMGEDWRDBX-GZTJUZNOSA-N
Species of MetaboliteComponentSourceComments
Neosartorya fischeri (ncbitaxon:36630) - PubMed (7844048) Strain: IFO9857
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
NK372135A (CHEBI:66631) has role antifungal agent (CHEBI:35718)
NK372135A (CHEBI:66631) has role metabolite (CHEBI:25212)
NK372135A (CHEBI:66631) is a dinitrile (CHEBI:51308)
NK372135A (CHEBI:66631) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
(3Z)-2-(4-methoxybenzyl)-3-(4-methoxybenzylidene)butanedinitrile
Registry NumbersSources
Reaxys:7141651Reaxys
Citations