Synonyms
UNII 4G9EDB6V73
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 GHVNFZFCNZKVNT-UHFFFAOYSA-N
Smiles CCCCCCCCCC(=O)O
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O2
Molecular Weight 172.26
AlogP 3.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 37.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 12.0
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 61.05 %
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 25.21 %
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 1.63 %
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 16.88 %
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 5.16 %
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 2.01 %
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 7.1 %
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 16.4 %
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 25.93 %
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 4.8 %
Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%) Meloidogyne incognita 11.5 %
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 19.57 %
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 2.07 %
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 4.77 %
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 4.73 %
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 0.23 %
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 0.97 %
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 0.43 %
Phytotoxicity against Echinochloa crus-galli (barnyard grass) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Echinochloa crus-galli 80.0 %
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 day at 28 degC Meloidogyne incognita 248.3 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 hr at 28 degC Meloidogyne incognita 353.7 ug.mL-1
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.0625 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 59.8 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.125 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.25 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus at 0.5 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 100.0 %
Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay Homo sapiens 30000.0 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 30000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL107498
FDA SRS 4G9EDB6V73
PDB DKA
PubChem 2969
SureChEMBL SCHEMBL2682