Synonyms
UNII L837108USY
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 GLZPCOQZEFWAFX-JXMROGBWSA-N
Smiles CC(=CCC\C(=C\CO)\C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.25
AlogP 2.93
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.23
Molecular species NEUTRAL
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 237.0 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 158.0 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 105.0 ug.mL-1
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 1.6 nL/cm2 after 4 hr Liposcelis bostrychophila 44.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 3.2 nL/cm2 after 4 hr Liposcelis bostrychophila 74.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 6.4 nL/cm2 after 4 hr Liposcelis bostrychophila 96.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 13 nL/cm2 after 4 hr Liposcelis bostrychophila 82.5 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 26 nL/cm2 after 4 hr Liposcelis bostrychophila 92.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 1.6 nL/cm2 after 2 hr Liposcelis bostrychophila 42.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 3.2 nL/cm2 after 2 hr Liposcelis bostrychophila 84.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 6.4 nL/cm2 after 2 hr Liposcelis bostrychophila 90.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 13 nL/cm2 after 2 hr Liposcelis bostrychophila 95.0 %
Insecticidal activity against adult Liposcelis bostrychophila (booklice) assessed as repellent activity at 26 nL/cm2 after 2 hr Liposcelis bostrychophila 86.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.0016 nL/cm2 after 4 hr Tribolium castaneum -14.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.016 nL/cm2 after 4 hr Tribolium castaneum -10.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.16 nL/cm2 after 4 hr Tribolium castaneum 14.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 1.6 nL/cm2 after 4 hr Tribolium castaneum 60.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 16 nL/cm2 after 4 hr Tribolium castaneum 86.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.016 nL/cm2 after 2 hr Tribolium castaneum -12.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.0016 nL/cm2 after 2 hr Tribolium castaneum -10.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 0.16 nL/cm2 after 2 hr Tribolium castaneum 14.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 1.6 nL/cm2 after 2 hr Tribolium castaneum 58.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as repellent activity at 16 nL/cm2 after 2 hr Tribolium castaneum 96.0 %
Lipophilicity, logP of the compound None 3.56
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 4 hr post compound exposure at 0.2 uL/cm2 using 15% compound formulation Tribolium castaneum 95.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 4 hr post compound exposure at 0.02 uL/cm2 using 15% compound formulation Tribolium castaneum 74.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 4 hr post compound exposure at 0.002 uL/cm2 using 15% compound formulation Tribolium castaneum 58.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 4 hr post compound exposure at 0.0002 uL/cm2 using 15% compound formulation Tribolium castaneum 35.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 4 hr post compound exposure at 0.00002 uL/cm2 using 15% compound formulation Tribolium castaneum 4.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 2 hr post compound exposure at 0.2 uL/cm2 using 15% compound formulation Tribolium castaneum 98.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 2 hr post compound exposure at 0.02 uL/cm2 using 15% compound formulation Tribolium castaneum 75.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 2 hr post compound exposure at 0.002 uL/cm2 using 15% compound formulation Tribolium castaneum 64.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 2 hr post compound exposure at 0.0002 uL/cm2 using 15% compound formulation Tribolium castaneum 43.0 %
Repellent activity against Tribolium castaneum (red flour beetle) assessed as induction of repellency measured 2 hr post compound exposure at 0.00002 uL/cm2 using 15% compound formulation Tribolium castaneum 6.0 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation Colletotrichum camelliae 440.0 ug.mL-1
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 100.0 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 100.0 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 100.0 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 100.0 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 58.1 %
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) using acetylthiocholine iodide substrate by Ellman method based colorimetry Electrophorus electricus 100000.0 nM
Fungitoxicity against Colletotrichum gloeosporioides assessed as mycelial growth inhibition by poisoned food technique Colletotrichum gloeosporioides 100.0 ug.mL-1 Fungitoxicity against Colletotrichum gloeosporioides assessed as mycelial growth inhibition by poisoned food technique Colletotrichum gloeosporioides 645654.23 nM
Antimicrobial activity against Staphylococcus epidermidis at 100 ug/ml after 72 hr Staphylococcus epidermidis None
Antimicrobial activity against Staphylococcus aureus at 100 ug/ml after 72 hr Staphylococcus aureus None
Antimicrobial activity against Escherichia coli at 100 ug/ml after 72 hr Escherichia coli None
Antimicrobial activity against Fusarium oxysporum at 100 ug/ml after 72 hr Fusarium oxysporum None
Antimicrobial activity against Aspergillus parasiticus at 100 ug/ml after 72 hr Aspergillus parasiticus None
Antimicrobial activity against Aspergillus flavus at 100 ug/ml after 72 hr Aspergillus flavus None
Antimicrobial activity against Candida albicans at 100 ug/ml after 72 hr Candida albicans None
Antifeedant activity against Manduca sexta at 100 ug/ml after 6 days Manduca sexta None
Antifeedant activity against Heliothis virescens (tobacco budworm) at 100 ug/ml after 6 days Heliothis virescens None
Antifeedant activity against Helicoverpa zea (corn earworm) at 100 ug/ml after 6 days Helicoverpa zea None
Mosquitocidal activity against fourth-instar larvae of Aedes aegypti assessed as mortality after 24 hr Aedes aegypti None
Nematicidal activity against Panagrellus redivivus assessed as mortality at 100 ug/ml after 24 hr by microscopic analysis Panagrellus redivivus None
Nematicidal activity against Caenorhabditis elegans assessed as mortality at 100 ug/ml after 24 hr by microscopic analysis Caenorhabditis elegans None
Antimicrobial activity against Pichia kudriavzevii at 100 ug/ml after 72 hr Pichia kudriavzevii None
Antimicrobial activity against Candida parapsilosis at 100 ug/ml after 72 hr Candida parapsilosis None
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 76.7 %
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 100.0 ug.mL-1
Fumigant molluscicidal activity against Theba pisana (white garden snail) assessed as snail mortality after 24 hr Theba pisana 100.0 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 42.29 ug
Herbivore repellent activity against adult Arvicola amphibius assessed as duration of stay within test box with apple pieces by T-maze test (Rvb = 59.19 +/-19.83%) Arvicola amphibius 4081.0 %
Herbivore repellent activity against adult Arvicola amphibius assessed as time required to enter the test box with apple pieces for first time by T-maze test (Rvb = 277.50 +/-166.07 secs) Arvicola amphibius 326.38 s
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 100.0 %
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 71.8 %
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 100.0 %
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 63.3 %
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 33.3 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 33.2 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 26.8 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 32.0 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 32.1 microg/cm3

Cross References

Resources Reference
ChEMBL CHEMBL25719
FDA SRS L837108USY
PubChem 637566
SureChEMBL SCHEMBL19824
ZINC ZINC01529210