TRANS-2-DECENAL

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Synonyms
Molecule Category Free-form
UNII E93S23U2BU
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 MMFCJPPRCYDLLZ-CMDGGOBGSA-N
Smiles CCCCCCC\C=C\C=O
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.25
AlogP 3.65
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
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 11.75 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 20.43 ug.mL-1
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.2 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.6 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.4 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.8 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 1 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 2 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.0625 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus None
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.125 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 37.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 0.25 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 94.8 %
Nematicidal activity against Bursaphelenchus xylophilus at 0.5 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL507518
FDA SRS E93S23U2BU
PubChem 5283345
SureChEMBL SCHEMBL872778
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