CHEBI:8489 - propiconazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propiconazole
ChEBI ID CHEBI:8489
Definition The cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:658576
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C15H17Cl2N3O2
Net Charge 0
Average Mass 342.22000
Monoisotopic Mass 341.06978
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey STJLVHWMYQXCPB-UHFFFAOYSA-N
SMILES CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
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 propiconazole (CHEBI:8489) has role antifungal agrochemical (CHEBI:86328)
propiconazole (CHEBI:8489) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
propiconazole (CHEBI:8489) has role environmental contaminant (CHEBI:78298)
propiconazole (CHEBI:8489) has role xenobiotic (CHEBI:35703)
propiconazole (CHEBI:8489) is a conazole fungicide (CHEBI:87067)
propiconazole (CHEBI:8489) is a cyclic ketal (CHEBI:59779)
propiconazole (CHEBI:8489) is a dichlorobenzene (CHEBI:23697)
propiconazole (CHEBI:8489) is a triazole fungicide (CHEBI:87100)
propiconazole (CHEBI:8489) is a triazoles (CHEBI:35727)
IUPAC Name
1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
Synonyms Sources
(±)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole ChEBI
Propiconazole KEGG COMPOUND
Manual Xrefs Databases
551 PPDB
C11121 KEGG COMPOUND
CPD-14540 MetaCyc
DE2551560 Patent
propiconazole Alan Wood's Pesticides
Propiconazole Wikipedia
US4079062 Patent
View more database links
Registry Numbers Types Sources
60207-90-1 CAS Registry Number KEGG COMPOUND
60207-90-1 CAS Registry Number ChemIDplus
75881-82-2 CAS Registry Number NIST Chemistry WebBook
841361 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19128860 PubMed citation ChEMBL
Last Modified
23 July 2015