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CHEBI:81773 - metconazole

ChEBI IDCHEBI:81773
ChEBI Namemetconazole
Stars
DefinitionA member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzyl and geminal dimethyl substituents at positions 1, 2 and 5 respectively. Used to control a range of fungal infections including alternaria, rusts, fusarium and septoria diseases.
Last Modified23 July 2015
DownloadsMolfile
FormulaC17H22ClN3O
Net Charge0
Average Mass319.836
Monoisotopic Mass319.14514
SMILESCC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKeyXWPZUHJBOLQNMN-UHFFFAOYSA-N
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.
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)
metconazole (CHEBI:81773) has role antifungal agrochemical (CHEBI:86328)
metconazole (CHEBI:81773) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
metconazole (CHEBI:81773) is a conazole fungicide (CHEBI:87067)
metconazole (CHEBI:81773) is a cyclopentanols (CHEBI:23495)
metconazole (CHEBI:81773) is a monochlorobenzenes (CHEBI:83403)
metconazole (CHEBI:81773) is a tertiary alcohol (CHEBI:26878)
metconazole (CHEBI:81773) is a triazole fungicide (CHEBI:87100)
metconazole (CHEBI:81773) is a triazoles (CHEBI:35727)
IUPAC Name 
5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Manual XrefsDatabases
C18476KEGG COMPOUND
metconazoleAlan Wood's Pesticides
WO2011037968Patent
US2011070278Patent
451PPDB
Registry NumbersSources
Reaxys:8333708Reaxys
CAS:125116-23-6KEGG COMPOUND
CAS:125116-23-6ChemIDplus
Citations