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CHEBI:38592 - acequinocyl

ChEBI IDCHEBI:38592
ChEBI Nameacequinocyl
Stars
DefinitionAn acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively.
Last Modified7 June 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILESCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
InChIKeyQDRXWCAVUNHOGA-UHFFFAOYSA-N
Roles Classification
Biological Role:
Application:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
acequinocyl (CHEBI:38592) has role acaricide (CHEBI:22153)
acequinocyl (CHEBI:38592) has role mitochondrial cytochrome-bc1 complex inhibitor (CHEBI:38499)
acequinocyl (CHEBI:38592) is a 1,4-naphthoquinones (CHEBI:132142)
acequinocyl (CHEBI:38592) is a acetate ester (CHEBI:47622)
IUPAC Name 
3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate
Synonyms  Source
acequinocylChemIDplus
2-(acetyloxy)-3-dodecyl-1,4-naphthalenedioneChemIDplus
3-dodecyl-2-hydroxy-1,4-naphthoquinone acetateChemIDplus
Manual XrefsDatabases
C18535KEGG COMPOUND
US6342499Patent
NL7505470Patent
US4082848Patent
10PPDB
Registry NumbersSources
Reaxys:2016033Reaxys
CAS:57960-19-7ChemIDplus
CAS:57960-19-7KEGG COMPOUND
Citations