NK372135C (CHEBI:66633)

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ChEBI Name	NK372135C

ChEBI ID	CHEBI:66633

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H18N2O3

Net Charge

Average Mass

334.36850

Monoisotopic Mass

334.13174

InChI

InChI=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+

InChIKey

OSJAZSFVURTOLX-LICLKQGHSA-N

SMILES

COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(O)c2)cc1

Metabolite of Species	Details
Neosartorya fischeri (NCBI:txid36630)	of strain IFO9857 See: PubMed

Roles Classification
Biological Role(s):	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	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 Number	Type	Source
7145038	Reaxys Registry Number	Reaxys

Citation	Type	Source
7844048	PubMed citation	Europe PMC

Last Modified

07 April 2017