CHEBI:66631 - NK372135A

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ChEBI Name NK372135A
ChEBI ID CHEBI:66631
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18N2O2
Net Charge 0
Average Mass 318.36910
Monoisotopic Mass 318.13683
InChI InChI=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+
InChIKey QUPRNMGEDWRDBX-GZTJUZNOSA-N
SMILES COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)cc2)cc1
Metabolite of Species Details
Neosartorya fischeri (NCBI:txid36630) of strain IFO9857 See: PubMed
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
7141651 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7844048 PubMed citation Europe PMC
Last Modified
16 April 2013