spiroxamine (CHEBI:9242)

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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	ChemicalBook:CB9324635, eMolecules:511378

Download	Molfile XML SDF

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Formula

C18H35NO2

Net Charge

Average Mass

297.47600

Monoisotopic Mass

297.26678

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.

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

Citations

Last Modified

26 February 2023