ALLYL OCTADECANOATE

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UNII 201TK826D9
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 HPCIWDZYMSZAEZ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)OCC=C
InChI
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4H,2-3,5-20H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H40O2
Molecular Weight 324.54
AlogP 8.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 19.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as increase in duration of the development of eggs applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella None
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of black head development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 94.4 +/-0.1%) Cydia pomonella 43.3 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of red ring development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 4.4 +/-0.22%) Cydia pomonella 13.3 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of white head development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 1.1 +/-0.44%) Cydia pomonella 43.3 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 7.33 mg/ml Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 2690.0 ug.mL-1
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 0.1 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 0.0 %
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 11.9 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 1 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 17.3 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 1.75 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 32.1 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 2.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 41.6 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 82.2 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 7.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 87.2 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2229590
FDA SRS 201TK826D9
PubChem 80500
SureChEMBL SCHEMBL195437
CONTENTS