PHENOXYCARB

/static/temp/default.svg Search structure
Synonyms
UNII JEN0LSV1G9
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 HJUFTIJOISQSKQ-UHFFFAOYSA-N
Smiles CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
InChI
InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO4
Molecular Weight 301.34
AlogP 3.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 56.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 0.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 100.0 %
Inhibition of metamorphosis in freshly molted Pyrrhocoris apterus (red firebug) fourth-instar nymph assessed as compound dose per individual causing reduction in metamorphosis by oral drinking assay Pyrrhocoris apterus 0.2 ug
Inhibition of metamorphosis in freshly molted Pyrrhocoris apterus (red firebug) fifth-instar nymph assessed as compound dose per individual causing reduction in metamorphosis by topical screening test Pyrrhocoris apterus 0.09 ug
Ovicidal activity against 24 hr old Cydia pomonella (codling moth) eggs assessed as mortality at 5 mg/ml sprayed at 19 +/- 1 degC Cydia pomonella 99.3 %
Ovicidal activity against 24 hr old Cydia pomonella (codling moth) eggs assessed as efficacy at 5 mg/ml sprayed at 19 +/- 1 degC Cydia pomonella 99.1 %
Lipophilicity, log P of the compound None 4.07
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of adult emergence at 400 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 89%) Bemisia tabaci 20.0 %
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of adult emergence at 200 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 89%) Bemisia tabaci 29.0 %
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of adult emergence at 100 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 89%) Bemisia tabaci 43.0 %
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of nymph emergence at 400 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 92%) Bemisia tabaci 21.0 %
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of nymph emergence at 200 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 92%) Bemisia tabaci 34.0 %
Juvenile hormone mimicking activity against Bemisia tabaci (sweet potato whitefly) infested cotton assessed as suppression of nymph emergence at 100 g/ha applied as wettable powder through spray measured on day 12 under field conditions (Rvb = 92%) Bemisia tabaci 41.0 %
Juvenile hormone mimicking activity against adult Sitophilus oryzae (rice weevil) infested wheat kernels assessed as suppression of progeny development at 1 ppm applied through diet for 21 days measured after 9 weeks Sitophilus oryzae None
Juvenile hormone mimicking activity against fifth-instar larval stage of Pieris brassicae reared on cabbage plants assessed as morphogenetic changes measured per larvae applied topically to dorsal surface of larvae measured post pupal ecdysis Pieris brassicae 21.0 ng
Insecticidal activity against young stage of Cacopsylla melanoneura in apple plant assessed as mortality at 187.5 g/ha treated for 14 days measured after 7 days relative to control Cacopsylla melanoneura 100.0 %
Insecticidal activity against young stage of Cacopsylla melanoneura in apple plant assessed as mortality at 187.5 g/ha treated for 7 days measured after 7 days relative to control Cacopsylla melanoneura 91.7 %
Insecticidal activity against young stage of Cacopsylla melanoneura in apple plant assessed as mortality at 187.5 g/ha treated for 1 hr measured after 7 days relative to control Cacopsylla melanoneura 93.3 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as reduction of progeny per female at 187.5 g/ha treated for 14 days measured after 7 days Cacopsylla melanoneura None
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 14 days measured after 3 days relative to control Cacopsylla melanoneura 53.3 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 14 days measured after 1 day relative to control Cacopsylla melanoneura 23.3 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as reduction of progeny per female at 187.5 g/ha treated for 7 days measured after 7 days Cacopsylla melanoneura None
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 7 days measured after 3 days relative to control Cacopsylla melanoneura 60.0 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 7 days measured after 1 day relative to control Cacopsylla melanoneura 40.0 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as reduction of progeny per female at 187.5 g/ha treated for 1 hr measured after 7 days Cacopsylla melanoneura None
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 1 hr measured after 3 days relative to control Cacopsylla melanoneura 16.7 %
Insecticidal activity against adult of Cacopsylla melanoneura in apple plant assessed as overwintered female mortality at 187.5 g/ha treated for 1 hr measured after 1 day relative to control Cacopsylla melanoneura 3.3 %

Cross References

Resources Reference
ChEMBL CHEMBL15780
FDA SRS JEN0LSV1G9
PubChem 51605
SureChEMBL SCHEMBL27336
ZINC ZINC01532145
CONTENTS