CHEBI:9666 - triadimenol

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ChEBI Name triadimenol
ChEBI ID CHEBI:9666
Definition A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H18ClN3O2
Net Charge 0
Average Mass 295.76500
Monoisotopic Mass 295.10875
InChI InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
InChIKey BAZVSMNPJJMILC-UHFFFAOYSA-N
SMILES CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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 triadimenol (CHEBI:9666) has role antifungal agrochemical (CHEBI:86328)
triadimenol (CHEBI:9666) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
triadimenol (CHEBI:9666) has role xenobiotic metabolite (CHEBI:76206)
triadimenol (CHEBI:9666) is a aromatic ether (CHEBI:35618)
triadimenol (CHEBI:9666) is a conazole fungicide (CHEBI:87067)
triadimenol (CHEBI:9666) is a hemiaminal ether (CHEBI:141498)
triadimenol (CHEBI:9666) is a monochlorobenzenes (CHEBI:83403)
triadimenol (CHEBI:9666) is a secondary alcohol (CHEBI:35681)
triadimenol (CHEBI:9666) is a triazole fungicide (CHEBI:87100)
IUPAC Name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Synonyms Sources
2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol ChemIDplus
α-tert-butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol NIST Chemistry WebBook
β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol NIST Chemistry WebBook
beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol ChemIDplus
Manual Xrefs Databases
649 PPDB
C11127 KEGG COMPOUND
LSM-27940 LINCS
triadimenol Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
55219-65-3 CAS Registry Number NIST Chemistry WebBook
55219-65-3 CAS Registry Number ChemIDplus
616470 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21341686 PubMed citation Europe PMC
22102610 PubMed citation Europe PMC
22944149 PubMed citation Europe PMC
23661341 PubMed citation Europe PMC
23876258 PubMed citation Europe PMC
24342051 PubMed citation Europe PMC
24615979 PubMed citation Europe PMC
25011125 PubMed citation Europe PMC
Last Modified
24 July 2018