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CHEBI:9242 - spiroxamine

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:
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.
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.
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
SpiroxamineKEGG COMPOUND
KWG4168KEGG COMPOUND
(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amineChEMBL
8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamineChEBI
Brand Names  Source
ImpulseChEBI
ProsperChEBI
Manual XrefsDatabases
C11124KEGG COMPOUND
DE3735555Patent
US4851405Patent
spiroxamineAlan Wood's Pesticides
599PPDB
Registry NumbersSources
Reaxys:11342560Reaxys
CAS:118134-30-8KEGG COMPOUND
CAS:118134-30-8ChemIDplus
Citations