MESOTRIONE

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UNII 48TR68G21T
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 KPUREKXXPHOJQT-UHFFFAOYSA-N
Smiles CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+](=O)[O-]
InChI
InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13NO7S
Molecular Weight 339.32
AlogP 1.11
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 139.54
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Amaranthus tuberculatus biotype MCR assessed as mortality at 315 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 33.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR assessed as mortality at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 0.0 %
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as visual injury at 315 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 100.0 %
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as visual injury at 315 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 100.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR assessed as decrease in shoot dry weight at 105 g/ha applied as spray during post-emergence after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 60.0 %
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as decrease in shoot dry weight at 105 g/ha applied as spray during post-emergence after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 90.0 %
Resistance ratio of GR50 for Amaranthus tuberculatus biotype MCR to GR50 for Amaranthus tuberculatus biotype WCS Amaranthus tuberculatus 35.0
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as decrease in shoot dry weight at 105 g/ha applied as spray during post-emergence after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 90.0 %
Resistance ratio of GR50 for Amaranthus tuberculatus biotype MCR to GR50 for Amaranthus tuberculatus biotype ACR Amaranthus tuberculatus 10.0
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as decrease in shoot dry weight applied as spray after 21 days under green house conditions Amaranthus tuberculatus 1.4 g/ha
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as decrease in shoot dry weight applied as spray after 21 days under green house conditions Amaranthus tuberculatus 4.9 g/ha
Herbicidal activity against Amaranthus tuberculatus biotype MCR assessed as decrease in shoot dry weight applied as spray after 21 days under green house conditions Amaranthus tuberculatus 48.5 g/ha
Herbicidal activity against Amaranthus tuberculatus biotype MCR 16 assessed as visual injury at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 27.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 15 assessed as visual injury at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 26.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 12 assessed as visual injury at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 13.0 %
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as visual injury at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 88.0 %
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as visual injury at 105 g/ha applied as spray after 21 days under green house conditions relative to untreated control Amaranthus tuberculatus 100.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 16 assessed as visual injury at 105 g/ha applied as spray after 14 days under green house conditions relative to untreated control Amaranthus tuberculatus 45.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 15 assessed as visual injury at 105 g/ha applied as spray after 14 days under green house conditions relative to untreated control Amaranthus tuberculatus 36.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 12 assessed as visual injury at 105 g/ha applied as spray after 14 days under green house conditions relative to untreated control Amaranthus tuberculatus 24.0 %
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as visual injury at 105 g/ha applied as spray after 14 days under green house conditions relative to untreated control Amaranthus tuberculatus 90.0 %
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as visual injury at 105 g/ha applied as spray after 14 days under green house conditions relative to untreated control Amaranthus tuberculatus 96.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 16 assessed as visual injury at 105 g/ha applied as spray after 7 days under green house conditions relative to untreated control Amaranthus tuberculatus 48.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 15 assessed as visual injury at 105 g/ha applied as spray after 7 days under green house conditions relative to untreated control Amaranthus tuberculatus 37.0 %
Herbicidal activity against Amaranthus tuberculatus biotype MCR 12 assessed as visual injury at 105 g/ha applied as spray after 7 days under green house conditions relative to untreated control Amaranthus tuberculatus 40.0 %
Herbicidal activity against Amaranthus tuberculatus biotype ACR assessed as visual injury at 105 g/ha applied as spray after 7 days under green house conditions relative to untreated control Amaranthus tuberculatus 63.0 %
Herbicidal activity against Amaranthus tuberculatus biotype WCS assessed as visual injury at 105 g/ha after 7 days applied as spray under green house conditions relative to untreated control Amaranthus tuberculatus 85.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) seedlings assessed as inhibition of plant fresh weight growth at 150 g/ha applied through spraying under greenhouse conditions Digitaria sanguinalis 100.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as inhibition of plant fresh weight growth at 150 g/ha applied to soil through spraying under greenhouse conditions Digitaria sanguinalis 100.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) seedlings assessed as inhibition of plant fresh weight growth at 150 g/ha applied through spraying under greenhouse conditions Echinochloa crus-galli 86.7 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of plant fresh weight growth at 150 g/ha applied to soil through spraying under greenhouse conditions Echinochloa crus-galli 92.5 %
Post-emergence herbicidal activity against Amaranthus retroflexus seedlings assessed as inhibition of plant fresh weight growth at 150 g/ha applied through spraying under greenhouse conditions Amaranthus retroflexus 100.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus assessed as inhibition of plant fresh weight growth at 150 g/ha applied to soil through spraying under greenhouse conditions Amaranthus retroflexus 97.9 %
Post-emergence herbicidal activity against Brassica rapa subsp. oleifera seedlings assessed as inhibition of plant fresh weight growth at 150 g/ha applied through spraying under greenhouse conditions Brassica rapa subsp. oleifera 100.0 %
Pre-emergence herbicidal activity against Brassica rapa subsp. oleifera assessed as inhibition of plant fresh weight growth at 150 g/ha applied to soil through spraying under greenhouse conditions Brassica rapa subsp. oleifera 97.8 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) plants assessed as inhibition of seedling growth at 1000 ug/ml after 65 hr by barnyard cup test Echinochloa crus-galli 96.1 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) plants assessed as inhibition of seedling growth at 100 ug/ml after 65 hr by barnyard cup test Echinochloa crus-galli 90.5 %
Herbicidal activity against Brassica rapa subsp. oleifera assessed as inhibition of root growth at 1000 ug/ml after 65 hr by rape cup test Brassica rapa subsp. oleifera 93.4 %
Herbicidal activity against Brassica rapa subsp. oleifera assessed as inhibition of root growth at 100 ug/ml after 65 hr by rape cup test Brassica rapa subsp. oleifera 89.7 %
Herbicidal activity against Brassica rapa subsp. oleifera assessed as inhibition of root growth at 10 ug/ml after 65 hr by rape cup test Brassica rapa subsp. oleifera 80.3 %

Cross References

Resources Reference
ChEMBL CHEMBL1873440
FDA SRS 48TR68G21T
PubChem 175967
SureChEMBL SCHEMBL22116
CONTENTS