etaconazole (CHEBI:4874)

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ChEBI Name	etaconazole

ChEBI ID	CHEBI:4874

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H15Cl2N3O2

Net Charge

Average Mass

328.19400

Monoisotopic Mass

327.05413

InChI

InChI=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

InChIKey

DWRKFAJEBUWTQM-UHFFFAOYSA-N

SMILES

CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl

Roles Classification
Biological Role(s):	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 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 )

ChEBI Ontology
Outgoing	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	Sources
1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole	ChemIDplus
CGA 64251	KEGG COMPOUND

Last Modified

23 July 2015