CHEBI:9242 - spiroxamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name spiroxamine
ChEBI ID CHEBI:9242
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:546779
Supplier Information
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Formula C18H35NO2
Net Charge 0
Average Mass 297.47600
Monoisotopic Mass 297.267
InChI InChI=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
InChIKey PUYXTUJWRLOUCW-UHFFFAOYSA-N
SMILES CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1
Roles Classification
Chemical Role(s): 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 (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine ChEMBL
8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamine ChEBI
KWG4168 KEGG COMPOUND
Spiroxamine KEGG COMPOUND
Brand Names Sources
Impulse ChEBI
Prosper ChEBI
Manual Xrefs Databases
599 PPDB
C11124 KEGG COMPOUND
DE3735555 Patent
spiroxamine Alan Wood's Pesticides
US4851405 Patent
View more database links
Registry Numbers Types Sources
11342560 Reaxys Registry Number Reaxys
118134-30-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16366700 PubMed citation Europe PMC
16526469 PubMed citation Europe PMC
17804411 PubMed citation ChEMBL
19733892 PubMed citation Europe PMC
20060629 PubMed citation Europe PMC
IND43667533 Agricola citation Europe PMC
Last Modified
08 July 2015