CHEBI:81819 - simeconazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name simeconazole
ChEBI ID CHEBI:81819
Definition A racemate comprising equal amounts of (R)- and (S)-simeconazole. A broad spectrum biofungicide used to control a range of diseases in particular Rhizoctonia solani Kuhn and Blumeria graminis on rice, fruit, soya and vegetables.
Stars This entity has been manually annotated by the ChEBI Team.
Formula C14H20FN3OSi
Net Charge 0
Average Mass 293.41200
Monoisotopic Mass 293.13597
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).
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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 simeconazole (CHEBI:81819) has part (R)-simeconazole (CHEBI:83997)
simeconazole (CHEBI:81819) has part (S)-simeconazole (CHEBI:83998)
simeconazole (CHEBI:81819) has role antifungal agrochemical (CHEBI:86328)
simeconazole (CHEBI:81819) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
simeconazole (CHEBI:81819) has role xenobiotic (CHEBI:35703)
simeconazole (CHEBI:81819) is a conazole fungicide (CHEBI:87067)
simeconazole (CHEBI:81819) is a racemate (CHEBI:60911)
simeconazole (CHEBI:81819) is a triazole fungicide (CHEBI:87100)
IUPAC Name
rac-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol
Synonyms Sources
(±)-simeconazole ChEBI
(RS)-simeconazole ChEBI
α-(4-fluorophenyl)-α-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol Alan Wood's Pesticides
rac-simeconazole ChEBI
racemic simeconazole ChEBI
Manual Xrefs Databases
C18544 KEGG COMPOUND
simeconazole Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
149508-90-7 CAS Registry Number KEGG COMPOUND
149508-90-7 CAS Registry Number ChemIDplus
8914833 Reaxys Registry Number Reaxys
Last Modified
23 July 2015