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 XDPFHGWVCTXHDX-UHFFFAOYSA-M
Smiles [Na+].CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)[O-]
InChI
InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9NaO5S
Molecular Weight 276.24
AlogP 0.96
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 96.89
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Effect on growth parameter in disease-susceptible Cenchrus americanus cultivar 7042S assessed as yield at 20 mM applied to seeds prior to sowing (Rvb = 1209 +/- 9 kg/ha) Cenchrus americanus 1328.0 kg/ha
Effect on growth parameter in disease-susceptible Cenchrus americanus cultivar 7042S assessed as weight of 1000 seeds at 20 mM applied to seeds prior to sowing (Rvb = 7.4 +/- 1.4 g) Cenchrus americanus 11.74 g
Effect on growth parameter in disease-susceptible Cenchrus americanus cultivar 7042S assessed as girth of ear at 20 mM applied to seeds prior to sowing measured after 60 days (Rvb = 3.6 +/- 0.9 cm) Cenchrus americanus 4.1 cm
Effect on growth parameter in disease-susceptible Cenchrus americanus cultivar 7042S assessed as length of ear at 20 mM applied to seeds prior to sowing measured after 60 days (Rvb = 9.4 +/- 0.8 cm) Cenchrus americanus 12.0 cm
Effect on growth parameter in disease-susceptible Cenchrus americanus cultivar 7042S assessed as increase in prodcutive tillers at 20 mM applied to seeds prior to sowing measured after 60 days relative to control Cenchrus americanus None
Stimulation of flowering in downy mildew disease-susceptible Cenchrus americanus cultivar 7042S assessed as days required for 50% flowering at 20 mM applied to seeds prior to sowing measured after 60 days (Rvb = 44 +/- 0.7 days ) Cenchrus americanus 40.0 day
Stimulation of growth in downy mildew disease-susceptible Cenchrus americanus cultivar 7042S assessed as plant height at 20 mM applied to seeds prior to sowing measured after 60 days (Rvb = 58.5 cm) Cenchrus americanus 68.0 cm
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing and to foliar of 7 day old seedling inoculated on day 2 measured on day 30 in field conditions (Rvb = 3%) Cenchrus americanus 72.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to foliar of 7 day old seedling inoculated on day 2 measured on day 30 in field conditions (Rvb = 2%) Cenchrus americanus 66.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation on 2 day old seedling measured on day 30 in field conditions (Rvb = 3%) Cenchrus americanus 68.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation on 2 day old seedling and challenge-inoculation to the inflorescence primordia at boot leaf stage measured on day 60 in green house condition relative to control Cenchrus americanus 79.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation on 2 day old seedling and challenge-inoculation to the nodal tiller measured on day 60 in green house condition relative to control Cenchrus americanus 77.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 6 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 74.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 5 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 74.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 4 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 73.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 3 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 65.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 2 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 51.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation at cleoptile stage at day 1 post seedling emergence measured on day 30 in green house conditions relative to control Cenchrus americanus 46.0 %
Induction of systemic acquired resistance against Sclerospora graminicola in Cenchrus americanus cultivar 7042S assessed as protection against downy mildew disease at 20 mM applied to seeds prior to sowing followed by inoculation on 2 day old seedling measured on day 30 in green house conditions (Rvb = 3%) Cenchrus americanus 73.0 %
Effect on seed vigor in Cenchrus americanus cultivar 7042S assessed as vigor index at 20 mM incubated for 6 hr followed by sowing measured at 7-day old seedling stage (Rvb = 990) Cenchrus americanus 1312.0
Stimulation of seed germination in Cenchrus americanus cultivar 7042S at 20 mM incubated for 6 hr followed by sowing measured at 7-day old seedling stage (Rvb = 88%) Cenchrus americanus 93.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2358118
PubChem 23665888
SureChEMBL SCHEMBL435171