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CHEBI:81770 - ipconazole

ChEBI IDCHEBI:81770
ChEBI Nameipconazole
Stars
DefinitionA member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl, 4-chlorobenzyl and isopropyl substituents at positions 1, 2 and 5 respectively. Used to control a range of seed diseases in rice, vegetables and other, mainly non-food, crops.
Last Modified23 July 2015
DownloadsMolfile
FormulaC18H24ClN3O
Net Charge0
Average Mass333.863
Monoisotopic Mass333.16079
SMILESCC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
InChIKeyQTYCMDBMOLSEAM-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.
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.
fungicide  A substance used to destroy fungal pests.
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.
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.
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)
ipconazole (CHEBI:81770) has role antifungal agrochemical (CHEBI:86328)
ipconazole (CHEBI:81770) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
ipconazole (CHEBI:81770) is a conazole fungicide (CHEBI:87067)
ipconazole (CHEBI:81770) is a cyclopentanols (CHEBI:23495)
ipconazole (CHEBI:81770) is a monochlorobenzenes (CHEBI:83403)
ipconazole (CHEBI:81770) is a tertiary alcohol (CHEBI:26878)
ipconazole (CHEBI:81770) is a triazole fungicide (CHEBI:87100)
ipconazole (CHEBI:81770) is a triazoles (CHEBI:35727)
IUPAC Name 
2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Synonyms  Source
2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanolChemIDplus
2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanolAlan Wood's Pesticides
Manual XrefsDatabases
C18471KEGG COMPOUND
ipconazoleAlan Wood's Pesticides
WO2012035670Patent
EP2265122Patent
EP2289320Patent
AU2010277783Patent
1140PPDB
Registry NumbersSources
Reaxys:11288948Reaxys
CAS:125225-28-7KEGG COMPOUND
CAS:125225-28-7ChemIDplus