METHYL PARATHIONE

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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 RLBIQVVOMOPOHC-UHFFFAOYSA-N
Smiles COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10NO5PS
Molecular Weight 263.21
AlogP 2.21
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 115.41
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Effect on total amino acids level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 3.54 mg/g fresh wt) Oryza sativa 4.04 mg
Effect on total amino acids level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 3.91 mg/g fresh wt) Oryza sativa 4.53 mg
Effect on total protein level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 17.67 mg/g fresh wt) Oryza sativa 21.17 mg
Effect on total protein level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 21.67 mg/g fresh wt) Oryza sativa 23.33 mg
Effect on total phenols level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 17.08 mg/g dry wt) Oryza sativa 16.08 mg
Effect on total phenols level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 8.08 mg/g dry wt) Oryza sativa 7.5 mg
Effect on reducing sugar level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 8.37 mg/g dry wt) Oryza sativa 10.54 mg
Effect on reducing sugar level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 9.35 mg/g dry wt) Oryza sativa 14.89 mg
Effect on total sugar level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 34.05 mg/g dry wt) Oryza sativa 39.37 mg
Effect on total sugar level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf blade measured per gram of dry weight at 0.030% concentration (Rvb = 36.16 mg/g dry wt) Oryza sativa 38.3 mg
Effect on total amino acids level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 2.11 mg/g fresh wt) Oryza sativa 2.86 mg
Effect on total amino acids level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 2.58 mg/g fresh wt) Oryza sativa 3.64 mg
Effect on total protein level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 6.11 mg/g fresh wt) Oryza sativa 8.33 mg
Effect on total protein level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 7.06 mg/g fresh wt) Oryza sativa 8.67 mg
Effect on total phenols level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 12.75 mg/g dry wt) Oryza sativa 11.08 mg
Insecticidal activity against Sogatella furcifera on insect-sensitive rice plant ARC6248 assessed as nymphal duration at 0.030% concentration (Rvb = 14.48 days) Sogatella furcifera 14.35 day
Insecticidal activity against Sogatella furcifera on insect-resistanct rice plant PR116 assessed as nymphal duration at 0.030% concentration (Rvb = 11.75 days) Sogatella furcifera 11.57 day
Insecticidal activity against Sogatella furcifera on insect-sensitive rice plant ARC6248 assessed as resurgence ratio at 0.030% concentration Sogatella furcifera 1.26
Insecticidal activity against Sogatella furcifera on insect-resistanct rice plant PR116 assessed as resurgence ratio at 0.030% concentration Sogatella furcifera 1.69
Effect on total phenols level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 5.75 mg/g dry wt) Oryza sativa 5.58 mg
Effect on reducing sugar level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 6.41 mg/g dry wt) Oryza sativa 9.89 mg
Effect on reducing sugar level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 7.50 mg/g dry wt) Oryza sativa 11.63 mg
Effect on total sugar level in Sogatella furcifera-sensitive Oryza sativa (rice) plant ARC6248 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 25.98 mg/g dry wt) Oryza sativa 33.21 mg
Effect on total sugar level in Sogatella furcifera-resistanct Oryza sativa (rice) plant PR116 leaf sheath measured per gram of dry weight at 0.030% concentration (Rvb = 30.27 mg/g dry wt) Oryza sativa 33.48 mg
Insecticidal activity against Sogatella furcifera on insect-sensitive rice plant ARC6248 assessed as growth index at 0.030% concentration (Rvb = 2.38%) Sogatella furcifera 2.87 %
Insecticidal activity against Sogatella furcifera on insect-resistanct rice plant PR116 assessed as growth index at 0.030% concentration (Rvb = 6.02%) Sogatella furcifera 6.76 %
Insecticidal activity against Sogatella furcifera on insect-sensitive rice plant ARC6248 assessed as nymphal survival at 0.030% concentration (Rvb = 34.17%) Sogatella furcifera 40.83 %
Insecticidal activity against Sogatella furcifera on insect-resistanct rice plant PR116 assessed as nymphal survival at 0.030% concentration (Rvb = 70.28%) Sogatella furcifera 77.78 %
Resistance index, ratio of LC50 for organophosphate-resistant clone of Schizaphis graminum OR2 adult or last-instar nymphs to LC50 for organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs Schizaphis graminum 41.3
Resistance index, ratio of LC50 for organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs to LC50 for organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs Schizaphis graminum 11.1
Insecticidal activity against organophosphate-resistant clone of Schizaphis graminum OR2 adult or last-instar nymphs assessed as insect mortality after 8 hr Schizaphis graminum 1.27 ug.mL-1
Insecticidal activity against organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs assessed as insect mortality after 8 hr Schizaphis graminum 0.34 ug.mL-1
Insecticidal activity against organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs assessed as insect mortality after 8 hr Schizaphis graminum 0.031 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL346516
PubChem 4130
SureChEMBL SCHEMBL75215
ZINC ZINC02040890
CONTENTS