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CHEBI:66633 - NK372135C

Default Structure
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:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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