Synonyms
UNII 2UMI9U37CP
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 ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Smiles CCCCCCCC\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O2
Molecular Weight 282.46
AlogP 6.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 37.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 2000 umol/L after 24 hr Rvb = 1.47 to 2.51%) Meloidogyne incognita 4.58 %
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 2000 umol/L after 12 hr (Rvb = 1.79 to 3.30%) Meloidogyne incognita 4.49 %
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 1000 umol/L after 24 hr Rvb = 1.47 to 2.51%) Meloidogyne incognita 2.42 %
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 1000 umol/L after 12 hr (Rvb = 1.79 to 3.30%) Meloidogyne incognita 4.52 %
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 100 umol/L after 24 hr (Rvb = 1.47 to 2.51%) Meloidogyne incognita 3.54 %
Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 100 umol/L after 12 hr (Rvb = 1.79 to 3.30%) Meloidogyne incognita 3.54 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 21 (SDW control = 44.87 +/- 3.93%) Meloidogyne incognita 21.8 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 21 (SDW control = 44.87 +/- 3.93%) Meloidogyne incognita 25.57 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 21 (SDW control = 44.87 +/- 3.93%) Meloidogyne incognita 24.93 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%) Meloidogyne incognita 16.53 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%) Meloidogyne incognita 18.53 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 14 (SDW control = 35.77 +/- 4.48%) Meloidogyne incognita 16.6 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 7 (SDW control = 12.63 +/- 3.84%) Meloidogyne incognita 7.47 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 7 (SDW control = 12.63 +/- 3.84%) Meloidogyne incognita 6.03 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 7 (SDW control = 12.63 +/- 3.84%) Meloidogyne incognita 6.07 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 3 (SDW control = 0.57 +/- 0.37%) Meloidogyne incognita 1.23 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 3 (SDW control = 0.57 +/- 0.37%) Meloidogyne incognita 0.67 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) root-knot nematodes assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 3 (SDW control = 0.57 +/- 0.37%) Meloidogyne incognita 1.47 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 100.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 2% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 5% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 2% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 5% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy Heterodera zeae None
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 40.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 50.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 50.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 48 hr post dose by stereoscopic microscopy Heterodera zeae 50.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 10.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 50.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 24 hr post dose by stereoscopic microscopy Heterodera zeae 50.0 %
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in aorta measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 36.25 +/- 1.39 secs) Rattus norvegicus 33.5 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in pancreas measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 27.25 +/- 2.82 secs) Rattus norvegicus 28.5 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in heart measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 27.13 +/- 3.72 secs) Rattus norvegicus 28.25 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in spleen measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 69.63 +/- 1.77 secs) Rattus norvegicus 62.25 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in kidney measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 52.38 +/- 2 secs) Rattus norvegicus 65.13 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in brain measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 50.5 +/- 1.77 secs) Rattus norvegicus 60.13 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in liver measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 74.38 +/- 4.60 secs) Rattus norvegicus 77.25 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as decrease in TFa activity in lung measuring clotting time at 10.91% administered through feeding measured after 12 weeks (Rvb = 19.25 +/- 3.20 secs) Rattus norvegicus 20.38 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as fibrinogen level at 10.91% administered through feeding measured after 12 weeks (Rvb = 2.13 +/- 0.23 g/l) Rattus norvegicus 1.97 g/L
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as prothombin time at 10.91% administered through feeding measured after 12 weeks (Rvb = 14.69 +/- 0.8 secs) Rattus norvegicus 15.1 s
Anticoagulant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as activated partial thromboplastin time at 10.91% administered through feeding measured after 12 weeks (Rvb = 17.13 +/- 1.73 secs) Rattus norvegicus 17.88 s
Antioxidant activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum malondialdehyde level at 10.91% administered through feeding measured after 12 weeks by TBARS assay (Rvb = 5.78 +/- 0.08 nmol/ml) Rattus norvegicus 5.81 nmol/ml
Increase in blood GSH level in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model at 10.91% administered through feeding measured after 12 weeks (Rvb = 20.31 +/- 0.93 %mg) Rattus norvegicus 29.96 %mg
Antihyperlipidemic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum total lipid level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 922.25 +/- 41.78 mg/dl) Rattus norvegicus 773.75 mg/dl
Antihyperlipidemic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum triglyceride level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 86.45 +/- 5.7 mg/dl) Rattus norvegicus 71.68 mg/dl
Antihyperlipidemic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum HDL-cholesterol level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 22.80 +/- 2.41 mg/dl) Rattus norvegicus 25.53 mg/dl
Antihyperlipidemic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum LDL-cholesterol level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 74.25 +/- 9.36 mg/dl) Rattus norvegicus 74.63 mg/dl
Antihyperlipidemic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum total cholesterol level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 309 +/- 35.88 mg/dl) Rattus norvegicus 351.3 mg/dl
Antidiabetic activity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as serum glucose level at 10.91% administered through feeding measured after 12 weeks ( Rvb = 194.4 +/- 23.99 mg/dl) Rattus norvegicus 190.63 mg/dl
Toxicity in Rattus norvegicus Wistar (rat) diabetic-hyperlipidemic model assessed as change in body weight at 10.91% administered through feeding measured for 12 weeks ( Rvb = 290 +/-76 g) Rattus norvegicus 243.0 g
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
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
Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay Homo sapiens 5300.0 nM
Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay Homo sapiens 4100.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL8659
FDA SRS 2UMI9U37CP
PDB OLA
PubChem 445639
SureChEMBL SCHEMBL1138