difenoconazole (CHEBI:81760)

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ChEBI Name	difenoconazole

ChEBI ID	CHEBI:81760

Definition	A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms.

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

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Formula

C19H17Cl2N3O3

Net Charge

Average Mass

406.26300

Monoisotopic Mass

405.06470

InChI

InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3

InChIKey

BQYJATMQXGBDHF-UHFFFAOYSA-N

SMILES

CC1COC(Cn2cncn2)(O1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase). fungicide A substance used to destroy fungal pests. (via triazole fungicide ) (via conazole fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via triazole antifungal agent ) (via conazole antifungal agent ) ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. (via conazole antifungal agent )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via triazole fungicide ) (via conazole fungicide )

ChEBI Ontology
Outgoing	difenoconazole (CHEBI:81760) has role antifungal agrochemical (CHEBI:86328) difenoconazole (CHEBI:81760) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) difenoconazole (CHEBI:81760) has role environmental contaminant (CHEBI:78298) difenoconazole (CHEBI:81760) has role xenobiotic (CHEBI:35703) difenoconazole (CHEBI:81760) is a aromatic ether (CHEBI:35618) difenoconazole (CHEBI:81760) is a conazole fungicide (CHEBI:87067) difenoconazole (CHEBI:81760) is a cyclic ketal (CHEBI:59779) difenoconazole (CHEBI:81760) is a dioxolane (CHEBI:39430) difenoconazole (CHEBI:81760) is a triazole fungicide (CHEBI:87100) difenoconazole (CHEBI:81760) is a triazoles (CHEBI:35727)

IUPAC Name

1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole

Last Modified

23 July 2015