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 SVJPYQRPFAAEJF-UHFFFAOYSA-N
Smiles C1COC(O1)c2ccncc2
InChI
InChI=1S/C8H9NO2/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-4,8H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9NO2
Molecular Weight 151.16
AlogP 0.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 31.35
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Thrips luring activity against female Frankliniella occidentalis (western flower thrips) assessed as induction of thrips to walk up odor-laden arm of Y-tube olfactometer at 5 x 10'-1 uL by Y-tube olfactometer bioassay Frankliniella occidentalis 61.0 %
Thrips luring activity against female Frankliniella occidentalis (western flower thrips) assessed as induction of thrips to walk up odor-laden arm of Y-tube olfactometer at 5 x 10'-3 uL by Y-tube olfactometer bioassay Frankliniella occidentalis 63.0 %
Thrips luring activity against female Frankliniella occidentalis (western flower thrips) assessed as induction of thrips to walk up odor-laden arm of Y-tube olfactometer at 5 x 10'-4 uL by Y-tube olfactometer bioassay Frankliniella occidentalis 48.0 %
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 5.3
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 20.4
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 16.6

Cross References

Resources Reference
ChEMBL CHEMBL2251615
PubChem 283331
SureChEMBL SCHEMBL3965171
ZINC ZINC11535855