CHEBI:81763 - fludioxonil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name fludioxonil
ChEBI ID CHEBI:81763
Definition A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C12H6F2N2O2
Net Charge 0
Average Mass 248.185
Monoisotopic Mass 248.03973
InChI InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
InChIKey MUJOIMFVNIBMKC-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1C3=CNC=C3C#N)OC(O2)(F)F
Roles Classification
Biological Role(s): androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
estrogen receptor agonist
An agonist at the estrogen receptor.
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application(s): androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fludioxonil (CHEBI:81763) has role androgen antagonist (CHEBI:35497)
fludioxonil (CHEBI:81763) has role antifungal agrochemical (CHEBI:86328)
fludioxonil (CHEBI:81763) has role estrogen receptor agonist (CHEBI:63951)
fludioxonil (CHEBI:81763) is a benzodioxoles (CHEBI:38298)
fludioxonil (CHEBI:81763) is a nitrile (CHEBI:18379)
fludioxonil (CHEBI:81763) is a organofluorine compound (CHEBI:37143)
fludioxonil (CHEBI:81763) is a pyrroles (CHEBI:26455)
IUPAC Name
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Manual Xrefs Databases
330 PPDB
C18462 KEGG COMPOUND
fludioxonil Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
131341-86-1 CAS Registry Number NIST Chemistry WebBook
131341-86-1 CAS Registry Number ChemIDplus
8393936 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23052036 PubMed citation Europe PMC
23256745 PubMed citation Europe PMC
23436777 PubMed citation Europe PMC
23799251 PubMed citation Europe PMC
24423402 PubMed citation Europe PMC
24598029 PubMed citation Europe PMC
24635026 PubMed citation Europe PMC
Last Modified
15 July 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag