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 IAIHUHQCLTYTSF-UHFFFAOYSA-N
Smiles CC12CCC(C1)C(C)(C)C2O
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.25
AlogP 2.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr relative to control Leptinotarsa decemlineata 20.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr relative to control Leptinotarsa decemlineata 6.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 0.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr relative to control Leptinotarsa decemlineata 43.3 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr relative to control Leptinotarsa decemlineata 16.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 16.7 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 23.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 20.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 10.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 6.7 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 30.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 30.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 23.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 10.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 3.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 3.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 3.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 13.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 13.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 10.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr relative to control Leptinotarsa decemlineata 13.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 96 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr relative to control Leptinotarsa decemlineata 13.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 10.0 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 3.3 %

Cross References

Resources Reference
ChEMBL CHEMBL1907996
PubChem 15406