Synonyms
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 KEQHJBNSCLWCAE-UHFFFAOYSA-N
Smiles CC(C)C1=CC(=O)C(=CC1=O)C
InChI
InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O2
Molecular Weight 164.2
AlogP 2.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Toxicity against Trichoplusia ni (cabbage looper) third-instar larvae stage assessed as mortality at 10 ug/ml for 24 hr by topical application Trichoplusia ni 26.7 %
Antifeedant activity against Trichoplusia ni (cabbage looper) third-instar larvae stage assessed as concentrations causing 50% feeding deterrence by feeding deterrent bioassay Trichoplusia ni 19.3 microg/cm2
Antifeedant activity against Trichoplusia ni (cabbage looper) third-instar larvae stage assessed as feeding deterrence index at 50 microg/cm'2 by feeding deterrent bioassay Trichoplusia ni 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 6.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 8.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 17 days post compound exposure Coptotermes formosanus 11.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 6.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 6.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 13 days post compound exposure Coptotermes formosanus 10.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 3.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 3.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 9 days post compound exposure Coptotermes formosanus 6.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 0.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 6 days post compound exposure Coptotermes formosanus 1.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 18.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 6.7 %
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 11 days post compound exposure Coptotermes formosanus 100.0 %
Termiticidal activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as termite mortality measured 3 days post compound exposure Coptotermes formosanus 100.0 %
Antifeedant activity against Coptotermes formosanus placed on 0.5 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 54.4 +/- 20.7 mg) Coptotermes formosanus 93.1 mg
Antifeedant activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure Coptotermes formosanus 80.6 mg
Antifeedant activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure Coptotermes formosanus 75.4 mg
Antifeedant activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure Coptotermes formosanus 74.0 mg
Antifeedant activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 54.4 +/- 20.7 mg) Coptotermes formosanus 83.5 mg
Antifeedant activity against Coptotermes formosanus placed on 1 % wt/wt compound treated filter paper assessed as filter paper consumption measured 21 days post compound exposure (Rvb = 85 +/- 15.1 mg) Coptotermes formosanus 0.0 mg
Termiticidal activity against Coptotermes formosanus placed on 0.001 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 5.0 %
Termiticidal activity against Coptotermes formosanus placed on 0.01 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 11.7 %
Termiticidal activity against Coptotermes formosanus placed on 0.05 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 8.3 %
Termiticidal activity against Coptotermes formosanus placed on 0.1 % wt/wt compound treated filter paper assessed as termite mortality measured 21 days post compound exposure Coptotermes formosanus 8.3 %

Cross References

Resources Reference
ChEMBL CHEMBL1672002