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CHEBI:9242 - spiroxamine

Default Structure
ChEBI IDCHEBI:9242
ChEBI Namespiroxamine
Stars
DefinitionThe spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes.
Secondary ChEBI IDCHEBI:546779
Last Modified26 February 2023
DownloadsMolfile
FormulaC18H35NO2
Net Charge0
Average Mass297.483
Monoisotopic Mass297.26678
SMILESCCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyPUYXTUJWRLOUCW-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
sterol biosynthesis inhibitor  Any compound that inhibits the biosynthesis of any sterol.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
spiroxamine (CHEBI:9242) has role antifungal agrochemical (CHEBI:86328)
spiroxamine (CHEBI:9242) has role environmental contaminant (CHEBI:78298)
spiroxamine (CHEBI:9242) has role sterol biosynthesis inhibitor (CHEBI:83317)
spiroxamine (CHEBI:9242) has role xenobiotic (CHEBI:35703)
spiroxamine (CHEBI:9242) is a dioxolane (CHEBI:39430)
spiroxamine (CHEBI:9242) is a spiroketal (CHEBI:72600)
spiroxamine (CHEBI:9242) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine
Synonyms  Source
8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamineChEBI
(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amineChEMBL
KWG4168KEGG COMPOUND
SpiroxamineKEGG COMPOUND
Brand Names  Source
ImpulseChEBI
ProsperChEBI
Manual XrefsDatabases
599PPDB
C11124KEGG COMPOUND
DE3735555Patent
spiroxamineAlan Wood's Pesticides
US4851405Patent
Registry NumbersSources
Reaxys:11342560Reaxys
CAS:118134-30-8KEGG COMPOUND
CAS:118134-30-8ChemIDplus
Citations