Z-BUTYLIDENEPHTHALIDE

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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 WMBOCUXXNSOQHM-FLIBITNWSA-N
Smiles CCC\C=C\1/OC(=O)c2ccccc12
InChI
InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12O2
Molecular Weight 188.22
AlogP 3.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Adulticidal activity against female Bemisia tabaci biotype B (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 254.2 ppm
Biotype susceptibility ratio, ratio of LC50 for female adult Bemisia tabaci biotype Q (sweet potato whitefly) to LC50 for female adult Bemisia tabaci biotype B Bemisia tabaci 2.3
Adulticidal activity against female Bemisia tabaci biotype Q (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 586.3 ppm
Insecticidal activity against adult Ctenocephalides felis at 200 ug/cm2 Ctenocephalides felis None
Ratio of N,N-diethyl-m-toulamide (DEET) LC50 to compound LC50 for Tyrophagus putrescentiae Tyrophagus putrescentiae 0.8
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality after 24 hr Tyrophagus putrescentiae 20.37 microg/cm2
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality at 2.5 ug/cm2 after 24 hr relative to control Tyrophagus putrescentiae 7.8 %
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality at 5 ug/cm2 after 24 hr relative to control Tyrophagus putrescentiae 12.9 %
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality at 10 ug/cm2 after 24 hr relative to control Tyrophagus putrescentiae 22.8 %
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality at 20 ug/cm2 after 24 hr relative to control Tyrophagus putrescentiae 56.3 %
Acaricidal activity against Tyrophagus putrescentiae assessed as mortality at 50 ug/cm2 after 24 hr relative to control Tyrophagus putrescentiae 74.1 %
Ratio of N,N-diethyl-m-toulamide (DEET) LC50 to compound LC50 for Dermatophagoides farinae Dermatophagoides farinae 2.25
Acaricidal activity against Dermatophagoides farinae assessed as mortality after 24 hr relative to control Dermatophagoides farinae 5.76 microg/cm2
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 2.5 ug/cm2 after 24 hr relative to control Dermatophagoides farinae 15.6 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 5 ug/cm2 after 24 hr relative to control Dermatophagoides farinae 32.1 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 10 ug/cm2 after 24 hr relative to control Dermatophagoides farinae 77.8 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 20 ug/cm2 after 24 hr relative to control Dermatophagoides farinae 100.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 50 ug/cm2 after 24 hr relative to control Dermatophagoides farinae 100.0 %
Ratio of rotenone LD50 to compound LD50 for adult Drosophila melanogaster Drosophila melanogaster 4.38
Adulticidal activity against Drosophila melanogaster larvae assessed as mortality measured per adult Drosophila melanogaster 0.84 ug
Ratio of rotenone LC50 to compound LC50 for Drosophila melanogaster larvae Drosophila melanogaster 0.023
Larvicidal activity against Drosophila melanogaster larvae assessed as mortality administered through diet after 8 days Drosophila melanogaster 940000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL249592
PubChem 642376
SureChEMBL SCHEMBL290482
ZINC ZINC01573356
CONTENTS