CHEBI:81773 - metconazole

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ChEBI Name metconazole
ChEBI ID CHEBI:81773
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H22ClN3O
Net Charge 0
Average Mass 319.82900
Monoisotopic Mass 319.145
InChI InChI=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
InChIKey XWPZUHJBOLQNMN-UHFFFAOYSA-N
SMILES CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
Roles Classification
Biological Role(s): 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).
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 )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
451 PPDB
C18476 KEGG COMPOUND
metconazole Alan Wood's Pesticides
US2011070278 Patent
WO2011037968 Patent
View more database links
Registry Numbers Types Sources
125116-23-6 CAS Registry Number ChemIDplus
8333708 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24317365 PubMed citation Europe PMC
Last Modified
23 July 2015