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CHEBI:9666 - triadimenol
| Formula | C14H18ClN3O2 |
| Net Charge | 0 |
| Average Mass | 295.770 |
| Monoisotopic Mass | 295.10875 |
| SMILES | CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1 |
| InChI | InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3 |
| InChIKey | BAZVSMNPJJMILC-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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 metabolite Any metabolite produced by metabolism of a xenobiotic compound. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. 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. 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. 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. |
| 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) |
| triadimenol (CHEBI:9666) has role antifungal agrochemical (CHEBI:86328) |
| triadimenol (CHEBI:9666) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) |
| triadimenol (CHEBI:9666) has role xenobiotic metabolite (CHEBI:76206) |
| triadimenol (CHEBI:9666) is a aromatic ether (CHEBI:35618) |
| triadimenol (CHEBI:9666) is a conazole fungicide (CHEBI:87067) |
| triadimenol (CHEBI:9666) is a hemiaminal ether (CHEBI:141498) |
| triadimenol (CHEBI:9666) is a monochlorobenzenes (CHEBI:83403) |
| triadimenol (CHEBI:9666) is a secondary alcohol (CHEBI:35681) |
| triadimenol (CHEBI:9666) is a triazole fungicide (CHEBI:87100) |
| IUPAC Name |
|---|
| 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
| Synonyms | Source |
|---|---|
| 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol | ChemIDplus |
| beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | ChemIDplus |
| α-tert-butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol | NIST Chemistry WebBook |
| β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C11127 | KEGG COMPOUND |
| triadimenol | Alan Wood's Pesticides |
| LSM-27940 | LINCS |
| 649 | PPDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:616470 | Reaxys |
| CAS:55219-65-3 | KEGG COMPOUND |
| CAS:55219-65-3 | ChemIDplus |
| CAS:55219-65-3 | NIST Chemistry WebBook |
| Citations |
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