CHEBI:34572 - allethrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name allethrin
ChEBI ID CHEBI:34572
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.40794
Monoisotopic Mass 302.188
InChI InChI=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
InChIKey ZCVAOQKBXKSDMS-UHFFFAOYSA-N
SMILES CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
Roles Classification
Biological Role(s): pyrethroid ester insecticide

Application(s): pyrethroid ester insecticide

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 cis-allethrin (CHEBI:39134) is a allethrin (CHEBI:34572)
trans-allethrin (CHEBI:39117) 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 Sources
2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester ChemIDplus
3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate ChemIDplus
3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate IUPAC
3-allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate NIST Chemistry WebBook
Allethrin KEGG COMPOUND
Bioallethrin KEGG COMPOUND
Pynamin KEGG COMPOUND
Manual Xrefs Databases
22 VSDB
22 PPDB
C14337 KEGG COMPOUND
D07530 KEGG DRUG
View more database links
Registry Numbers Types Sources
2294836 Beilstein Registry Number Beilstein
584-79-2 CAS Registry Number KEGG COMPOUND
584-79-2 CAS Registry Number ChemIDplus
584-79-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
28 October 2016