PYRETHRIN

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UNII 5N9245585U
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 VJFUPGQZSXIULQ-XIGJTORUSA-N
Smiles COC(=O)\C(=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)C\C=C/C=C)C1(C)C)\C
InChI
InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O5
Molecular Weight 372.45
AlogP 3.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 69.67
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against Liposcelis paeta in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 7 days (Rvb = 3.3 +/-1.7%) Liposcelis paeta 15.7 %
Insecticidal activity against Liposcelis paeta in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 5.6 +/-1.8%) Liposcelis paeta 14.4 %
Insecticidal activity against Liposcelis paeta in compound pret-reated wheat grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 7.8 +/-3.2%) Liposcelis paeta 14.5 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as decrease in progeny production at 1.6 ppm after 30 days Liposcelis bostrychophila None
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated rice grains assessed as effect on progeny production at 2.2 ppm after 30 days Liposcelis bostrychophila None
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated wheat grains assessed as effect on progeny production at 1.6 ppm after 30 days Liposcelis bostrychophila None
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 13.5 +/-5.3%) Liposcelis bostrychophila 23.3 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 8.9 +/-2.6%) Liposcelis bostrychophila 18.9 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 14 days (Rvb = 9.7 +/-2.4%) Liposcelis bostrychophila 26.5 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 7 days (Rvb = 8.9 +/-4.5%) Liposcelis bostrychophila 23.3 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 6.8 +/-3.3%) Liposcelis bostrychophila 30.0 %
Insecticidal activity against Liposcelis bostrychophila (booklice) in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 3.3 +/-1.7%) Liposcelis bostrychophila 17.8 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as decrease in progeny production at 1.6 ppm after 30 days Liposcelis entomophila None
Insecticidal activity against Liposcelis entomophila in compound pre-treated rice grains assessed as effect on progeny production at 2.2 ppm after 30 days Liposcelis entomophila None
Insecticidal activity against Liposcelis entomophila in compound pre-treated wheat grains assessed as decrease in progeny production at 1.6 ppm after 30 days Liposcelis entomophila None
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 14.4 +/-4.1%) Liposcelis entomophila 60.0 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 15.6 +/-6.9%) Liposcelis entomophila 17.8 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 14 days (Rvb = 10.0 +/-4.7%) Liposcelis entomophila 16.7 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 7 days (Rvb = 3.3 +/-2.6%) Liposcelis entomophila 8.9 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 13.3 +/-4.7%) Liposcelis entomophila 55.6 %
Insecticidal activity against Liposcelis entomophila in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 5.6 +/-2.9%) Liposcelis entomophila 47.8 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as decrease in progeny production at 1.6 ppm after 30 days Lepinotus reticulatus None
Insecticidal activity against Lepinotus reticulatus in compound pre-treated rice grains assessed as effect on progeny production at 2.2 ppm after 30 days Lepinotus reticulatus None
Insecticidal activity against Lepinotus reticulatus in compound pre-treated wheat grains assessed as decrease in progeny production at 1.6 ppm after 30 days Lepinotus reticulatus None
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 61.1 +/-11.9%) Lepinotus reticulatus 86.7 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 34.4 +/-11.4%) Lepinotus reticulatus 57.8 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 14 days (Rvb = 15.5 +/-4.1%) Lepinotus reticulatus 14.3 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 7 days (Rvb = 6.8 +/-2.4%) Lepinotus reticulatus 23.4 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 21.1 +/-7.4%) Lepinotus reticulatus 65.7 %
Insecticidal activity against Lepinotus reticulatus in compound pre-treated wheat grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 10.0 +/-5.3%) Lepinotus reticulatus 41.1 %
Insecticidal activity against Liposcelis paeta in compound pre-treated maize grains assessed as mortality at 1.6 ppm after 14 days (Rvb = 14.1 +/-4.1%) Liposcelis paeta 18.9 %
Insecticidal activity against Liposcelis paeta in compound pret-reated maize grains assessed as mortality at 1.6 ppm after 7 days (Rvb = 13.3 +/-3.3%) Liposcelis paeta 10.0 %
Insecticidal activity against Liposcelis paeta in compound pre-treated rice grains assessed as mortality at 2.2 ppm after 14 days (Rvb = 3.4 +/-1.6%) Liposcelis paeta 31.1 %

Cross References

Resources Reference
ChEMBL CHEMBL2270705
FDA SRS 5N9245585U
PubChem 5281555
SureChEMBL SCHEMBL119632
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