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CHEBI:66632 - NK372135B

ChEBI IDCHEBI:66632
ChEBI NameNK372135B
Stars
DefinitionA dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 3,4-dimethoxybenzylidene groups at positions 3 and 2 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity.
Last Modified16 April 2013
DownloadsMolfile
FormulaC21H20N2O3
Net Charge0
Average Mass348.402
Monoisotopic Mass348.14739
SMILESCOc1ccc(CC(C#N)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H20N2O3/c1-24-19-7-4-15(5-8-19)10-17(13-22)18(14-23)11-16-6-9-20(25-2)21(12-16)26-3/h4-9,11-12,17H,10H2,1-3H3/b18-11+
InChIKeyKGCCITMWQZHGKS-WOJGMQOQSA-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)
NK372135B (CHEBI:66632) has role antifungal agent (CHEBI:35718)
NK372135B (CHEBI:66632) has role metabolite (CHEBI:25212)
NK372135B (CHEBI:66632) is a dinitrile (CHEBI:51308)
NK372135B (CHEBI:66632) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(2Z)-2-(3,4-dimethoxybenzylidene)-3-(4-methoxybenzyl)butanedinitrile
Registry NumbersSources
Reaxys:7145532Reaxys
Citations