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CHEBI:81819 - simeconazole
| ChEBI ID | CHEBI:81819 |
| ChEBI Name | simeconazole |
| Stars | |
| Definition | A racemate comprising equal amounts of (R)- and (S)-simeconazole. A broad spectrum biofungicide used to control a range of diseases in particular Rhizoctonia solani Kuhn and Blumeria graminis on rice, fruit, soya and vegetables. |
| Last Modified | 23 July 2015 |
| Formula | C14H20FN3OSi |
| Net Charge | 0 |
| Average Mass | 293.412 |
| Monoisotopic Mass | 293.13597 |
| Roles Classification |
|---|
| 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). 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. 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) |
| simeconazole (CHEBI:81819) has part (R)-simeconazole (CHEBI:83997) |
| simeconazole (CHEBI:81819) has part (S)-simeconazole (CHEBI:83998) |
| simeconazole (CHEBI:81819) has role antifungal agrochemical (CHEBI:86328) |
| simeconazole (CHEBI:81819) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) |
| simeconazole (CHEBI:81819) has role xenobiotic (CHEBI:35703) |
| simeconazole (CHEBI:81819) is a conazole fungicide (CHEBI:87067) |
| simeconazole (CHEBI:81819) is a racemate (CHEBI:60911) |
| simeconazole (CHEBI:81819) is a triazole fungicide (CHEBI:87100) |
| IUPAC Name |
|---|
| rac-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol |
| Synonyms | Source |
|---|---|
| α-(4-fluorophenyl)-α-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol | Alan Wood's Pesticides |
| (RS)-simeconazole | ChEBI |
| racemic simeconazole | ChEBI |
| rac-simeconazole | ChEBI |
| (±)-simeconazole | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C18544 | KEGG COMPOUND |
| simeconazole | Alan Wood's Pesticides |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8914833 | Reaxys |
| CAS:149508-90-7 | KEGG COMPOUND |
| CAS:149508-90-7 | ChemIDplus |