FENCHONE

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Molecule Category Free-form
UNII S436YKU51N
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 LHXDLQBQYFFVNW-UHFFFAOYSA-N
Smiles CC12CCC(C1)C(C)(C)C2=O
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.23
AlogP 2.5
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species None
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 100.0 %
Antifeedant activity against Spodoptera littoralis fed on compound treated artificial diet assessed as food ingested by choice feeding assay relative to control Spodoptera littoralis 91.0 %
Antifeedant activity against Spodoptera littoralis fed on compound treated artificial diet assessed as larval weight gain by choice feeding assay relative to control Spodoptera littoralis 100.0 %
Antifeedant activity against adult Spodoptera littoralis fed on compound treated artificial diet by choice feeding assay Spodoptera littoralis 50.0 microg/cm2
Antifeedant activity against apterous adult Myzus persicae (green peach aphid) fed on on compound treated bell pepper assessed as settling on leaf by choice feeding assay (Rvb = 52 to 70%) Myzus persicae 30.0 %
Antifeedant activity against adult Leptinotarsa decemlineata fed on compound treated potato foliage by choice feeding assay Leptinotarsa decemlineata 50.0 microg/cm2
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 mg after 12 hr relative to control Leptinotarsa decemlineata 90.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 mg after 12 hr relative to control Leptinotarsa decemlineata 53.3 %
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 100.0 %
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 100.0 %
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 100.0 %
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 66.7 %
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 100.0 %
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 100.0 %
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 93.3 %
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 56.7 %
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 100.0 %
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 100.0 %
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 100.0 %
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 33.3 %
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 73.3 %
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 63.3 %
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 50.0 %
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 23.3 %
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 63.3 %
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 100.0 %
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 100.0 %
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 83.3 %
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 36.7 %
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 83.3 %
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 46.7 %
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 13.3 %
Reversible inhibition of Electrophorus electricus (electric eel)acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry Electrophorus electricus None
Competitive inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry Electrophorus electricus None
Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) at 100 mM using 10 mM acetylthiocholine iodide substrate after 15 min by Ellman method based colorimetry Electrophorus electricus 90.67 %
Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) at 50 mM using 5 mM acetylthiocholine iodide substrate after 15 min by Ellman method based colorimetry Electrophorus electricus 84.14 %
Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) at 10 mM using 2 mM acetylthiocholine iodide substrate after 15 min by Ellman method based colorimetry Electrophorus electricus 79.83 %
Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) at 1 mM using 1 mM acetylthiocholine iodide substrate after 15 min by Ellman method based colorimetry Electrophorus electricus 53.79 %
Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry Electrophorus electricus 400000.0 nM
Acute toxicity in po dosed Rattus norvegicus (rat) Rattus norvegicus 6.16 g/Kg

Cross References

Resources Reference
ChEMBL CHEMBL2268554
FDA SRS S436YKU51N
PubChem 14525
SureChEMBL SCHEMBL57584
CONTENTS