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CHEBI:66633 - NK372135C

ChEBI IDCHEBI:66633
ChEBI NameNK372135C
Stars
DefinitionA dinitrile that is butanedinitrile substituted by 3-hydroxy-4-methoxybenzylidene and 4-methoxybenzyl groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H18N2O3
Net Charge0
Average Mass334.375
Monoisotopic Mass334.13174
SMILESCOc1ccc(CC(C#N)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-6-3-14(4-7-18)9-16(12-21)17(13-22)10-15-5-8-20(25-2)19(23)11-15/h3-8,10-11,16,23H,9H2,1-2H3/b17-10+
InChIKeyOSJAZSFVURTOLX-LICLKQGHSA-N
Species of MetaboliteComponentSourceComments
Neosartorya fischeri (ncbitaxon:36630) - PubMed (7844048) Strain: IFO9857
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
NK372135C (CHEBI:66633) has role antifungal agent (CHEBI:35718)
NK372135C (CHEBI:66633) has role fungal metabolite (CHEBI:76946)
NK372135C (CHEBI:66633) is a dinitrile (CHEBI:51308)
NK372135C (CHEBI:66633) is a guaiacols (CHEBI:134251)
IUPAC Name 
(2Z)-2-(3-hydroxy-4-methoxybenzylidene)-3-(4-methoxybenzyl)butanedinitrile
Registry NumbersSources
Reaxys:7145038Reaxys
Citations