CHEBI:34572 - allethrin

ChEBI IDCHEBI:34572
ChEBI Nameallethrin
Stars
Last Modified14 March 2019
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
InChIInChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
InChIKeyZCVAOQKBXKSDMS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
allethrin (CHEBI:34572) has functional parent chrysanthemic acid (CHEBI:3680)
allethrin (CHEBI:34572) has role pyrethroid ester insecticide (CHEBI:39116)
allethrin (CHEBI:34572) is a cyclopropanecarboxylate ester (CHEBI:50351)
Incoming Relation(s)
cis-allethrin (CHEBI:39134) is a allethrin (CHEBI:34572)
trans-allethrin (CHEBI:39117) is a allethrin (CHEBI:34572)
bioallethrin (CHEBI:143255) is a allethrin (CHEBI:34572)
IUPAC Name 
2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms  Source
BioallethrinKEGG COMPOUND
AllethrinKEGG COMPOUND
3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateIUPAC
3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemateChemIDplus
3-allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylateNIST Chemistry WebBook
2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl esterChemIDplus
Manual XrefsDatabases
C14337KEGG COMPOUND
D07530KEGG DRUG
22PPDB
22VSDB
Registry NumbersSources
Beilstein:2294836Beilstein
CAS:584-79-2KEGG COMPOUND
CAS:584-79-2NIST Chemistry WebBook
CAS:584-79-2ChemIDplus