Synonyms
UNII 362Y256BOL
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key GSLDEZOOOSBFGP-UHFFFAOYSA-N
Smiles C=C1CCOC1=O
InChI
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O2
Molecular Weight 98.1
AlogP 0.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 7.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against adult Nilaparvata lugens (brown planthopper) assessed as mortality at 600 ug/disc after 48 hr relative to control Nilaparvata lugens 30.0 %
Insecticidal activity against adult Nilaparvata lugens (brown planthopper) assessed as mortality at 600 ug/disc after 24 hr relative to control Nilaparvata lugens 0.0 %
Insecticidal activity against adult Nilaparvata lugens (brown planthopper) assessed as mortality at 60 ug/disc after 24 hr relative to control Nilaparvata lugens 0.0 %
Insecticidal activity against adult Nilaparvata lugens (brown planthopper) assessed as mortality at 60 ug/disc after 48 hr relative to control Nilaparvata lugens 0.0 %
Insecticidal activity against adult Spodoptera litura assessed as mortality at 600 ug/disc after 48 hr relative to control Spodoptera litura 20.0 %
Insecticidal activity against adult Spodoptera litura assessed as mortality at 600 ug/disc after 24 hr relative to control Spodoptera litura 0.0 %
Insecticidal activity against adult Spodoptera litura assessed as mortality at 60 ug/disc after 48 hr relative to control Spodoptera litura 0.0 %
Insecticidal activity against adult Spodoptera litura assessed as mortality at 60 ug/disc after 24 hr relative to control Spodoptera litura 0.0 %
Insecticidal activity against adult Plutella xylostella (diamondback moth) assessed as mortality at 600 ug/disc after 48 hr relative to control Plutella xylostella 50.0 %
Insecticidal activity against adult Plutella xylostella (diamondback moth) assessed as mortality at 600 ug/disc after 24 hr relative to control Plutella xylostella 0.0 %
Insecticidal activity against adult Plutella xylostella (diamondback moth) assessed as mortality at 60 ug/disc after 48 hr relative to control Plutella xylostella 0.0 %
Insecticidal activity against adult Plutella xylostella (diamondback moth) assessed as mortality at 60 ug/disc after 24 hr relative to control Plutella xylostella 0.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 75 ug/disc after 24 hr relative to control Frankliniella occidentalis 100.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 37.5 ug/disc after 48 hr relative to control Frankliniella occidentalis 100.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 37.5 ug/disc after 24 hr relative to control Frankliniella occidentalis 52.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 12.5 ug/disc after 72 hr relative to control Frankliniella occidentalis 12.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 12.5 ug/disc after 48 hr relative to control Frankliniella occidentalis 8.0 %
Insecticidal activity against adult Frankliniella occidentalis (western flower thrips) assessed as mortality at 12.5 ug/disc after 24 hr relative to control Frankliniella occidentalis 4.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 75 ug/disk after 24 hr relative to control Frankliniella intonsa 100.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 50 ug/disk after 72 hr relative to control Frankliniella intonsa 94.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 50 ug/disk after 48 hr relative to control Frankliniella intonsa 70.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 37.5 ug/disk after 72 hr relative to control Frankliniella intonsa 76.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 37.5 ug/disk after 48 hr relative to control Frankliniella intonsa 66.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 37.5 ug/disk after 24 hr relative to control Frankliniella intonsa 58.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 25 ug/disk after 72 hr relative to control Frankliniella intonsa 48.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 25 ug/disk after 48 hr relative to control Frankliniella intonsa 48.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 25 ug/disk after 24 hr relative to control Frankliniella intonsa 34.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 12.5 ug/disk after 72 hr relative to control Frankliniella intonsa 0.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 12.5 ug/disk after 48 hr relative to control Frankliniella intonsa 0.0 %
Insecticidal activity against adult Frankliniella intonsa assessed as mortality at 12.5 ug/disk after 24 hr relative to control Frankliniella intonsa 0.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 75 ug/disk after 24 hr relative to control Thrips palmi 100.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 50 ug/disk after 48 hr relative to control Thrips palmi 100.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 50 ug/disk after 24 hr relative to control Thrips palmi 80.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 37.5 ug/disk after 72 hr relative to control Thrips palmi 100.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 37.5 ug/disk after 48 hr relative to control Thrips palmi 94.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 37.5 ug/disk after 24 hr relative to control Thrips palmi 56.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 25 ug/disk after 72 hr relative to control Thrips palmi 90.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 25 ug/disk after 48 hr relative to control Thrips palmi 70.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 25 ug/disk after 24 hr relative to control Thrips palmi 14.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 12.5 ug/disk after 72 hr relative to control Thrips palmi 20.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 12.5 ug/disk after 24 hr relative to control Thrips palmi 2.0 %
Insecticidal activity against adult Thrips palmi assessed as mortality at 12.5 ug/disk after 48 hr relative to control Thrips palmi 14.0 %

Cross References

Resources Reference
ChEMBL CHEMBL275748
FDA SRS 362Y256BOL
PubChem 68352
SureChEMBL SCHEMBL41024
ZINC ZINC01740871