CHEBI:81760 - difenoconazole

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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.
Supplier Information
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Formula C19H17Cl2N3O3
Net Charge 0
Average Mass 406.26300
Monoisotopic Mass 405.065
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 )
View more via ChEBI Ontology
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
Manual Xrefs Databases
230 PPDB
C18459 KEGG COMPOUND
difenoconazole Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
119446-68-3 CAS Registry Number ChemIDplus
119446-68-3 CAS Registry Number NIST Chemistry WebBook
9073356 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24405376 PubMed citation Europe PMC
25172726 PubMed citation Europe PMC
25306325 PubMed citation Europe PMC
Last Modified
23 July 2015