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CHEBI:81760 - difenoconazole
| Formula | C19H17Cl2N3O3 |
| Net Charge | 0 |
| Average Mass | 406.269 |
| Monoisotopic Mass | 405.06470 |
| SMILES | CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. 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 14α-demethylase). 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. fungicide A substance used to destroy fungal pests. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. fungicide A substance used to destroy fungal pests. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
|---|---|
| C18459 | KEGG COMPOUND |
| difenoconazole | Alan Wood's Pesticides |
| 230 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9073356 | Reaxys |
| CAS:119446-68-3 | KEGG COMPOUND |
| CAS:119446-68-3 | ChemIDplus |
| CAS:119446-68-3 | NIST Chemistry WebBook |
| Citations |
|---|