FENPROPATHRIN

/static/temp/default.svg Search structure
Synonyms
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 XQUXKZZNEFRCAW-UHFFFAOYSA-N
Smiles CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23NO3
Molecular Weight 349.42
AlogP 4.7
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 59.32
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Risk quotient, recommended field rate (g/ha) to LC50 for Trichogramma nubilale (mg/L) Trichogramma nubilale 0.8
Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 1327.5 mgAi/L Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 150.3 mgAi/L
Toxicity against Bionectria ochroleuca assessed as inhibition of mycelial growth at 0.048 to 0.292 ug/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 1.0 %
Toxicity against Bionectria ochroleuca I19 assessed as inhibition of mycelial growth at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 8.18 %
Toxicity against Bionectria ochroleuca I60 assessed as inhibition of mycelial growth at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 3.93 %
Toxicity against Bionectria ochroleuca I61 assessed as inhibition of mycelial growth at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 7.16 %
Toxicity against Bionectria ochroleuca I62 assessed as inhibition of mycelial growth at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 10.77 %
Toxicity against Bionectria ochroleuca assessed as inhibition of conidial germination at 0.048 to 0.292 ug/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 6.0 %
Toxicity against Bionectria ochroleuca I19 assessed as inhibition of conidial germination at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 12.7 %
Toxicity against Bionectria ochroleuca I60 assessed as inhibition of conidial germination at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 10.1 %
Toxicity against Bionectria ochroleuca I61 assessed as inhibition of conidial germination at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 10.7 %
Toxicity against Bionectria ochroleuca I62 assessed as inhibition of conidial germination at 0.048 to 0.292 mg/ml measured every 24 hr intervals over 192 hr Bionectria ochroleuca 9.9 %
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 2 hr Spodoptera litura 90.8 %
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 4 hr Spodoptera litura 82.3 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 2 hr Spodoptera litura 22.0 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 4 hr Spodoptera litura 13.1 %
Drug uptake in Spodoptera litura assessed as unchanged drug level 0.2 ug/insect after 2 hr Spodoptera litura 66.5 %
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 2 hr Spodoptera litura 68.8 %
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 4 hr Spodoptera litura 69.2 %
Octanol-water partition coefficient, log P of the compound by shake-flask method None 6.0
Selectivity ratio of LC50 for Diaphorina citri to LC50 for Diaphorina citri infected with Candidatus Liberibacter asiaticus Diaphorina citri 1.2
Insecticidal activity against Diaphorina citri assessed as mortality after 48 hr Diaphorina citri 0.06 mgAi/L
Insecticidal activity against Diaphorina citri infected with Candidatus Liberibacter asiaticus assessed as mortality after 48 hr Diaphorina citri 0.05 mgAi/L
Synergism ratio, LC50 for insecticidal activity against compound resistant Tetranychus cinnabarinus (carmine spider mite) to LC50 for insecticidal activity against compound resistant Tetranychus cinnabarinus in presence of piperonyl butoxide (PBO), diethyl maleate (DEM) and triphenyl phosphate (TPP) Tetranychus cinnabarinus 1.0
Resistance ratio, LC50 for insecticidal activity against compound resistant Tetranychus cinnabarinus (carmine spider mite) in presence of piperonyl butoxide (PBO), diethyl maleate (DEM) and triphenyl phosphate (TPP) to LC50 for insecticidal activity against compound susceptible Tetranychus cinnabarinus in presence of piperonyl butoxide (PBO), diethyl maleate (DEM) and triphenyl phosphate (TPP) Tetranychus cinnabarinus 98.5
Insecticidal activity against compound resistant Tetranychus cinnabarinus (carmine spider mite) in presence of piperonyl butoxide (PBO), diethyl maleate (DEM) and triphenyl phosphate (TPP) Tetranychus cinnabarinus 70287.7 ug.mL-1
Insecticidal activity against compound susceptible Tetranychus cinnabarinus (carmine spider mite) Tetranychus cinnabarinus 713.7 ug.mL-1
Insecticidal activity against blue/green Diaphorina citri in citrus leaf assessed as mortality after 48 hr by leaf-dip petridish bioassay method Diaphorina citri 0.85 ug.mL-1 Insecticidal activity against blue/green Diaphorina citri in citrus leaf assessed as mortality after 48 hr by leaf-dip petridish bioassay method Diaphorina citri 29.21 ug ml-1
Insecticidal activity against Drosophila suzukii assessed as mortality at 341.5 g/ha by direct application at 22 degC measured after 24 hr Drosophila suzukii 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL522994
PubChem 47326
SureChEMBL SCHEMBL26248
CONTENTS