Synonyms
UNII 2V16EO95H1
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 IPCSVZSSVZVIGE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O2
Molecular Weight 256.42
AlogP 6.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 37.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 18.0
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 4.91 %
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 5.44 %
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 3.03 %
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 6.71 %
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 3.36 %
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 3.33 %
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 20.17 %
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 13.4 %
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 22.3 %
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 17.23 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%) Meloidogyne incognita 9.53 %
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 15.07 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 7 (SDW control = 12.63 +/- 3.84%) Meloidogyne incognita 6.63 %
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 2.8 %
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 5.73 %
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 0.7 %
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 0.23 %
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 1.13 %
Nematotoxic activity against Meloidogyne incognita (root-knot nematode) Meloidogyne incognita 38.3 ug.mL-1
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 80.0 %
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 80.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 80.0 %
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 70.0 %
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 50.0 %
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 70.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 70.0 %
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 50.0 %
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 0.0 %
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 50.0 %
Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 72 hr post dose by stereoscopic microscopy Heterodera zeae 70.0 %
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 50.0 %
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 0.0 %
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 20.0 %
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 0.0 %
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 0.0 %
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 0.0 %
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 80.0 %
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 0.0 %
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 10.0 %
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 0.0 %
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 0.0 %
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 0.0 %
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 0.0 %
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 day at 28 degC Meloidogyne incognita 500.0 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 hr at 28 degC Meloidogyne incognita 500.0 ug.mL-1
Antifungal activity against Colletotrichum gloeosporioides assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum gloeosporioides 0.0 mm
Antifungal activity against Colletotrichum fragariae assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum fragariae 0.0 mm
Antifungal activity against Colletotrichum acutatum assessed as size of growth inhibitory zone at concentration of 2 mM in volume of 4 ul of acetone measured after 4 days by TLC based direct bioautography assay Colletotrichum acutatum 0.0 mm
Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay Homo sapiens 7400.0 nM
Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay Homo sapiens 30000.0 nM
Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay Homo sapiens 1500.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL82293
FDA SRS 2V16EO95H1
PDB PLM
PubChem 985
SureChEMBL SCHEMBL6177