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CHEBI:4874 - etaconazole

ChEBI IDCHEBI:4874
ChEBI Nameetaconazole
Stars
DefinitionA member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops.
Last Modified23 July 2015
DownloadsMolfile
FormulaC14H15Cl2N3O2
Net Charge0
Average Mass328.199
Monoisotopic Mass327.05413
SMILESCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
InChIKeyDWRKFAJEBUWTQM-UHFFFAOYSA-N
Roles Classification
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).
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)
etaconazole (CHEBI:4874) has role antifungal agrochemical (CHEBI:86328)
etaconazole (CHEBI:4874) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
etaconazole (CHEBI:4874) is a conazole fungicide (CHEBI:87067)
etaconazole (CHEBI:4874) is a cyclic ketal (CHEBI:59779)
etaconazole (CHEBI:4874) is a dichlorobenzene (CHEBI:23697)
etaconazole (CHEBI:4874) is a dioxolane (CHEBI:39430)
etaconazole (CHEBI:4874) is a triazole fungicide (CHEBI:87100)
etaconazole (CHEBI:4874) is a triazoles (CHEBI:35727)
Synonyms  Source
CGA 64251KEGG COMPOUND
1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleChemIDplus
Manual XrefsDatabases
C11293KEGG COMPOUND
NZ587951Patent
1196PPDB
Registry NumbersSources
Reaxys:834090Reaxys
CAS:60207-93-4KEGG COMPOUND
CAS:60207-93-4ChemIDplus
CAS:60207-93-4NIST Chemistry WebBook