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CHEBI:81900 - bromuconazole

ChEBI IDCHEBI:81900
ChEBI Namebromuconazole
Stars
DefinitionA member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines.
Last Modified22 September 2016
DownloadsMolfile
FormulaC13H12BrCl2N3O
Net Charge0
Average Mass377.069
Monoisotopic Mass374.95408
SMILESClc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1
InChIInChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
InChIKeyHJJVPARKXDDIQD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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 14α-demethylase).
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)
bromuconazole (CHEBI:81900) has role antifungal agrochemical (CHEBI:86328)
bromuconazole (CHEBI:81900) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
bromuconazole (CHEBI:81900) is a conazole fungicide (CHEBI:87067)
bromuconazole (CHEBI:81900) is a dichlorobenzene (CHEBI:23697)
bromuconazole (CHEBI:81900) is a organobromine compound (CHEBI:37141)
bromuconazole (CHEBI:81900) is a oxolanes (CHEBI:26912)
bromuconazole (CHEBI:81900) is a triazole fungicide (CHEBI:87100)
bromuconazole (CHEBI:81900) is a triazoles (CHEBI:35727)
IUPAC Name 
2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol
Synonym  Source
1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazoleChemIDplus
Manual XrefsDatabases
C18704KEGG COMPOUND
bromuconazoleAlan Wood's Pesticides
EP258161Patent
97PPDB
Registry NumbersSources
Reaxys:8393967Reaxys
CAS:116255-48-2KEGG COMPOUND
CAS:116255-48-2ChemIDplus
Citations