NK372135B (CHEBI:66632)

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ChEBI Name	NK372135B

ChEBI ID	CHEBI:66632

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H20N2O3

Net Charge

Average Mass

348.39510

Monoisotopic Mass

348.14739

InChI

InChI=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+

InChIKey

KGCCITMWQZHGKS-WOJGMQOQSA-N

SMILES

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

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

Roles Classification
Biological Role(s):	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	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 Number	Type	Source
7145532	Reaxys Registry Number	Reaxys

Citation	Type	Source
7844048	PubMed citation	Europe PMC

Last Modified

16 April 2013