Synonyms
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 JZQKTMZYLHNFPL-BLHCBFLLSA-N
Smiles CCCCC\C=C\C=C\C=O
InChI
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.23
AlogP 3.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Nematicidal Activity against Meloidogyne javanica (root-knot nematode) assessed as death/paralysis of nematodes at 1 hr after immersion in test solution Meloidogyne javanica 7.53 ug.mL-1
Nematicidal Activity against Meloidogyne javanica (root-knot nematode) assessed as death/paralysis of nematodes at 1 day after immersion in test solution Meloidogyne javanica 11.7 ug.mL-1
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) assessed as microscopic fracture on cuticle at 100 mg/ml by scanning electron microscopic analysis Meloidogyne incognita None
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) assessed as smooth/stretched cuticle at 100 mg/ml by scanning electron microscopic analysis Meloidogyne incognita None
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) assessed as macroscopic fracture on cuticle at 100 mg/ml by scanning electron microscopic analysis Meloidogyne incognita None
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) after 1 day by inverted microscopic analysis Meloidogyne incognita 12.0 ug.mL-1
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) after 1 hr by inverted microscopic analysis Meloidogyne incognita 20.0 mg/L

Cross References

Resources Reference
ChEMBL CHEMBL443949