1-(DIETHOXYPHOSPHORYL)ETHYL 2-(2,4-DICHLOROPHENOXY)ACETATE

/static/temp/default.svg Search structure
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 UVGGEXWYVOUAEV-UHFFFAOYSA-N
Smiles CCOP(=O)(OCC)C(C)OC(=O)COc1ccc(Cl)cc1Cl
InChI
InChI=1S/C14H19Cl2O6P/c1-4-20-23(18,21-5-2)10(3)22-14(17)9-19-13-7-6-11(15)8-12(13)16/h6-8,10H,4-5,9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19Cl2O6P
Molecular Weight 385.18
AlogP 3.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 80.87
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Abutilon theophrasti 97.5 %
Pre-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Abutilon theophrasti 47.5 %
Pre-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Abutilon theophrasti 0.0 %
Pre-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Abutilon theophrasti 0.0 %
Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibition of root growth after 3 days Cucumis sativus 300.0 nM
Post-emergence herbicidal activity against Brassica juncea assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Brassica juncea 97.5 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate at 0.1 microg/g preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 37.63 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate at 1 microg/g preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 41.78 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate at 10 microg/g preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 46.24 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate at 100 microg/g preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 52.76 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate at 1000 microg/g preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 73.68 %
Post-emergence herbicidal activity against Pisum sativum Zhongwan-2 (pea) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Pisum sativum 82.5 %
Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay Vigna radiata var. radiata 23120.0 nM
Toxicity against Oryza sativa (rice) assessed as growth inhibition at 450 ai g/ha post-emergent application measured after 20 days by green house crop selectivity test Oryza sativa 37.5 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Echinochloa crus-galli 5.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Amaranthus retroflexus 100.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Post-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Pre-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Setaria viridis 5.5 %
Pre-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Pre-emergence herbicidal activity against Setaria viridis (green foxtail) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Setaria viridis 0.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Digitaria sanguinalis 10.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Pre-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Digitaria sanguinalis 0.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Chenopodium album 97.5 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Chenopodium album 92.5 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Chenopodium album 62.5 %
Pre-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Chenopodium album 52.5 %
Pre-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Chenopodium album 0.0 %
Pre-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Chenopodium album 0.0 %
Post-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Amaranthus spinosus 100.0 %
Post-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Amaranthus spinosus 82.5 %
Post-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Amaranthus spinosus 52.5 %
Pre-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Amaranthus spinosus 50.0 %
Pre-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Amaranthus spinosus 0.0 %
Pre-emergence herbicidal activity against Amaranthus spinosus assessed as growth inhibition at 75 ai g/ha after 20 days by green house test Amaranthus spinosus 0.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 450 ai g/ha after 20 days by green house test Abutilon theophrasti 100.0 %
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) assessed as growth inhibition at 150 ai g/ha after 20 days by green house test Abutilon theophrasti 97.5 %

Cross References

Resources Reference
ChEMBL CHEMBL2227973
PubChem 14926512
CONTENTS