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 VASBMTKQLWDLDL-UHFFFAOYSA-N
Smiles C=CCCOc1ccccc1
InChI
InChI=1S/C10H12O/c1-2-3-9-11-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O
Molecular Weight 148.2
AlogP 2.75
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Thrips luring activity against female Thrips tabaci (onion thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips tabaci 2.5
Thrips luring activity against male New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 17.2
Thrips luring activity against female New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 16.5

Cross References

Resources Reference
ChEMBL CHEMBL452096
PubChem 11094784
SureChEMBL SCHEMBL4737421