Synonyms
UNII RV6J6604TK
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 WEEGYLXZBRQIMU-UHFFFAOYSA-N
Smiles CC12CCC(CC1)C(C)(C)O2
InChI
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.25
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 9.23
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 24 hr assessed as reduction in larval motility Meloidogyne incognita 1842.0 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 48 hr assessed as reduction in larval motility Meloidogyne incognita 1842.0 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 96 hr assessed as reduction in larval motility Meloidogyne incognita 1603.0 ug.mL-1
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum gloeosporioides 0.0 mm
Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum fragariae 0.0 mm
Antifungal activity against Colletotrichum acutatum assessed as growth inhibition at 4 uL in 2 mM acetone by direct bioautography Colletotrichum acutatum 0.0 mm
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.6 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.5 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.4 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.3 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.2 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth in dextrose sabouraud broth and Czapek agar at 0.1 mg/ml at 28 +/- 1 degC for 72 hr by dilution technique Aspergillus flavus None
Insecticidal activity against Sitophilus granarius (granary weevil) assessed as mortality Sitophilus granarius 90.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 83.3 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 100.0 %
Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 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 95.0 %
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 96.0 %
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 37.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 86.7 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 80.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 24 hr relative to control Leptinotarsa decemlineata 73.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul after 12 hr relative to control Leptinotarsa decemlineata 56.7 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 96 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 76.7 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 48 hr (Rvb = 3.3 +/- 3.3%) Leptinotarsa decemlineata 63.3 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 50.0 %
Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 12 hr relative to control Leptinotarsa decemlineata 40.0 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul 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 ul 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 ul 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 ul after 12 hr relative to control Leptinotarsa decemlineata 83.3 %
Insecticidal activity against second-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul 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 10 ul 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 10 ul 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 10 ul after 12 hr relative to control Leptinotarsa decemlineata 43.3 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 20 ul 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 ul 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 ul after 24 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 ul after 12 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 ul 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 10 ul after 48 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 ul after 12 hr relative to control Leptinotarsa decemlineata 26.7 %
Insecticidal activity against first-instar larval stage of Leptinotarsa decemlineata infested potato leaves assessed as mortality at 10 ul after 24 hr relative to control Leptinotarsa decemlineata 66.7 %
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 500 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 1000 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 500 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 1000 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 500 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 1000 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 500 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 1000 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %
Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 25 mg/L after 24 hr Aedes aegypti 10.0 %
Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 50 mg/L after 24 hr Aedes aegypti 53.0 %
Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 250 mg/L after 24 hr Aedes aegypti 100.0 %
Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 100 mg/L after 24 hr Aedes aegypti 100.0 %
Larvicidal activity against third larval stage of Aedes aegypti assessed as mortality at 500 mg/L after 24 hr Aedes aegypti 100.0 %
Insecticidal activity against adult Bemisia argentifolii reared on compound-treated melon leaves assessed as layed eggs at 1000 mg/L applied as spray after 72 hr Bemisia argentifolii 9.2 %
Insecticidal activity against adult Bemisia argentifolii reared on compound-treated melon leaves assessed as mortality at 1000 mg/L applied as spray after 72 hr Bemisia argentifolii 91.2 %
Contact insecticidal activity against cotton leafworm Spodoptera littoralis third-instar larvae exposed to 1 mg/larva compound application through dorsum of larvae followed by feeding on fresh castor bean leaves assessed as insect mortality after 24 hr Spodoptera littoralis None
Fumigant insecticidal activity against cotton leafworm Spodoptera littoralis third-instar larvae fed on fresh castor bean leaves assessed as insect mortality after 24 hr Spodoptera littoralis 4.34 ug.mL-1
Fumigant molluscicidal activity against Theba pisana (white garden snail) assessed as snail mortality after 24 hr Theba pisana 4.17 ug.mL-1
Contact molluscicidal activity against Theba pisana (white garden snail ) exposed to compound throgh application to surface of snail body inside shell assessed as compound level per snail causing snail mortality after 24 hr Theba pisana 223.44 ug
Toxicity to Musca domestica (house fly) applied to pronotum assessed as compound level per fly causing insect mortality measured after 24 hr Musca domestica 63.2 ug
Displacement of [3H]TBOB binding to GABA receptor in Musca domestica (house fly) heads homogenates assessed as [3H]TBOB binding at 500 uM incubated for 90 min by scintillation counting method Musca domestica 122.0 %
Antimicrobial activity against Corticium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 1000 ppm at 27 degC measured after 4 days Corticium 0.0 %
Antimicrobial activity against Corticium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 100 ppm at 27 degC measured after 4 days Corticium 8.3 %
Antimicrobial activity against Pythium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 1000 ppm at 27 degC measured after 4 days Pythium 0.4 %
Antimicrobial activity against Pythium sp. assessed as inhibition of mycelial growth on potato dextrose agar at 100 ppm at 27 degC measured after 4 days Pythium 0.0 %
Insecticidal activity against abamectin-resistant female Tetranychus urticae ART-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 256.3 microg/cm3
Insecticidal activity against pyridaben-resistant female Tetranychus urticae PRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 263.7 microg/cm3
Insecticidal activity against fenpropathrin-resistant female Tetranychus urticae FRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 249.0 microg/cm3
Insecticidal activity against chlorfenapyr-resistant female Tetranychus urticae CRT-53 (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 298.4 microg/cm3
Insecticidal activity against acaricide-susceptible female Tetranychus urticae KST (two-spotted spider mite) in kidney bean assessed as mortality in 3 cm disks measured after 24 hr exposure by vapour-phase mortality bioassay Tetranychus urticae 275.0 microg/cm3

Cross References

Resources Reference
ChEMBL CHEMBL485259
FDA SRS RV6J6604TK
PubChem 2758
SureChEMBL SCHEMBL19622