OSAJIN

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UNII 83R5N9X74B
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 DCTLJGWMHPGCOS-UHFFFAOYSA-N
Smiles CC(=CCc1c(O)c2C(=O)C(=COc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C
InChI
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H24O5
Molecular Weight 404.46
AlogP 5.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 75.99
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against 3 to 8 days old Tribolium castaneum (red flour beetle) assessed as mortality at 0.2 ug/mL measured within 24 hr by fumigation assay Tribolium castaneum None
Insecticidal activity against 3 to 8 days old Tribolium castaneum (red flour beetle) assessed as mortality measured after 24 hr by fumigation assay Tribolium castaneum 0.26 ug.mL-1
Insecticidal activity against 3 to 8 days old Tribolium castaneum (red flour beetle) assessed as mortality at 1 ug/mL measured after 72 hr by fumigation assay Tribolium castaneum 100.0 %
Insecticidal activity against 3 to 8 days old Tribolium castaneum (red flour beetle) assessed as mortality at 1 ug/mL measured after 24 hr by fumigation assay Tribolium castaneum 100.0 %
Insecticidal activity against 3 to 8 days old Rhyzopertha dominica assessed as mortality measured after 24 hr by fumigation assay Rhyzopertha dominica 0.32 ug.mL-1
Insecticidal activity against 3 to 8 days old Rhyzopertha dominica assessed as mortality at 1 ug/mL measured after 72 hr by fumigation assay Rhyzopertha dominica 100.0 %
Insecticidal activity against 3 to 8 days old Rhyzopertha dominica assessed as mortality at 1 ug/mL measured after 24 hr by fumigation assay Rhyzopertha dominica 100.0 %
Insecticidal activity against 3 to 8 days old Sitophilus oryzae (rice weevil) assessed as mortality measured after 72 hr by fumigation assay Sitophilus oryzae 0.28 ug.mL-1
Insecticidal activity against 3 to 8 days old Sitophilus oryzae (rice weevil) assessed as mortality at 1 ug/mL measured after 72 hr by fumigation assay Sitophilus oryzae 100.0 %
Insecticidal activity against 3 to 8 days old Sitophilus oryzae (rice weevil) assessed as mortality at 1 ug/mL measured after 24 hr by fumigation assay Sitophilus oryzae 100.0 %
Insecticidal activity against 3 to 8 days old Callosobruchus chinensis assessed as mortality measured after 72 hr by fumigation assay Callosobruchus chinensis 0.29 ug.mL-1
Insecticidal activity against 3 to 8 days old Callosobruchus chinensis assessed as mortality at 1 ug/mL measured after 72 hr by fumigation assay Callosobruchus chinensis 100.0 %
Insecticidal activity against 3 to 8 days old Callosobruchus chinensis assessed as mortality at 1 ug/mL measured after 24 hr by fumigation assay Callosobruchus chinensis 100.0 %
Insecticidal activity against Achaea janata assessed as adult emergence at 2 ug/larva administered through topical application (Rvb = 98.8 +/- 0.5 %) Achaea janata 18.0 %
Insecticidal activity against Achaea janata assessed as adult emergence at 4 ug/larva administered through topical application (Rvb = 98.8 +/- 0.5 %) Achaea janata 2.9 %
Insecticidal activity against Achaea janata assessed as adult deformity at 2 ug/larva administered through topical application Achaea janata 10.0 %
Insecticidal activity against Achaea janata assessed as adult deformity at 4 ug/larva administered through topical application Achaea janata 15.7 %
Insecticidal activity against Achaea janata assessed as pupal mortality at 2 ug/larva administered through topical application Achaea janata 47.8 %
Insecticidal activity against Achaea janata assessed as pupal mortality at 4 ug/larva administered through topical application Achaea janata 45.6 %
Insecticidal activity against Achaea janata assessed as pupal weight at 2 ug/larva administered through topical application (Rvb = 696.4 +/- 2.6 mg) Achaea janata 584.8 mg
Insecticidal activity against Achaea janata assessed as pupal weight at 4 ug/larva administered through topical application (Rvb = 696.4 +/- 2.6 mg) Achaea janata 504.8 mg
Insecticidal activity against Achaea janata assessed as pupal duration at 2 ug/larva administered through topical application (Rvb = 10.3 +/- 0.1 days) Achaea janata 13.8 day
Insecticidal activity against Achaea janata assessed as pupal duration at 4 ug/larva administered through topical application (Rvb = 10.3 +/- 0.1 days) Achaea janata 15.5 day
Insecticidal activity against Achaea janata assessed as larval mortality at 4 ug/larva administered through topical application Achaea janata 33.4 %
Insecticidal activity against Achaea janata assessed as larval mortality at 2 ug/larva administered through topical application Achaea janata 12.2 %
Insecticidal activity against Achaea janata assessed as larval duration at 4 ug/larva administered through topical application (Rvb = 7.3 +/- 0.1 days) Achaea janata 11.2 day
Insecticidal activity against Achaea janata assessed as larval duration at 2 ug/larva administered through topical application (Rvb = 7.3 +/- 0.1 days) Achaea janata 10.4 day
Toxicity against Achaea janata at 10 ug/cm2 after 24 hr by leaf disk method Achaea janata 98.2 %
Toxicity against Achaea janata after 24 hr by leaf disk method Achaea janata 3.54 microg/cm2
Antifeedant activity against Achaea janata at 1 ug/cm2 by conventional no-choice disk method Achaea janata None
Antifeedant activity against Achaea janata at 2 ug/cm2 by conventional no-choice disk method Achaea janata None
Antifeedant activity against Achaea janata by conventional no-choice disk method Achaea janata 3.18 microg/cm2
Antifeedant activity against Achaea janata at 10 ug/cm2 by conventional no-choice disk method Achaea janata 100.0 %
Insecticidal activity against Ostrinia nubilalis (European corn borer) larvae assessed as mortality at 0.10 to 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 7.0 %
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 54.0 %
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 71.0 %
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 44.0 %
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 50.0 %
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 50.0 %
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 71.0 %
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 85.0 %
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as adult emergence at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 43.0 %
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 6.5 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 7.2 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 6.3 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 6.8 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 7.1 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 7.6 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 6.4 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal duration at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 7.3 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 103.0 mg
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 76.0 mg
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 104.0 mg
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 75.0 mg
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 102.0 mg
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 75.0 mg
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 109.0 mg
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as pupal weight at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 71.0 mg
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.7 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.001% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.4 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 12.6 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.01% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.4 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.8 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 0.10% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.4 day
Effect on growth of female Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 12.4 day
Effect on growth of male Ostrinia nubilalis (European corn borer) larvae assessed as larval duration at 1% of diet dry weight after 6 days relative to control Ostrinia nubilalis 11.3 day
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as excretion rate at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -1.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as excretion rate at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis 6.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as excretion rate at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 6.3 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as excretion rate at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 1.9 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as excretion rate at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 4.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as growth rate at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -1.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as growth rate at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis -1.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as growth rate at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 4.7 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as growth rate at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 1.7 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as growth rate at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 3.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as feeding rate at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -7.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as feeding rate at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis -8.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as feeding rate at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 23.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as feeding rate at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 36.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as feeding rate at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 27.5 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount excreted at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -1.4 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount excreted at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis 2.6 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount excreted at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 17.6 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount excreted at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 10.8 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount excreted at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 1.9 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of weight gain by the insect at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -2.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of weight gain by the insect at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis -3.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of weight gain by the insect at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 17.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of weight gain by the insect at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 7.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of weight gain by the insect at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 10.5 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of food consumed at 0.10% of diet dry weight after 5 days relative to control Ostrinia nubilalis -8.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of food consumed at 0.20% of diet dry weight after 5 days relative to control Ostrinia nubilalis -12.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of food consumed at 0.40% of diet dry weight after 5 days relative to control Ostrinia nubilalis 30.5 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of food consumed at 0.60% of diet dry weight after 5 days relative to control Ostrinia nubilalis 36.0 %
Antifeedant activity against Ostrinia nubilalis (European corn borer) larvae assessed as amount of food consumed at 0.80% of diet dry weight after 5 days relative to control Ostrinia nubilalis 27.7 %

Cross References

Resources Reference
ChEMBL CHEMBL238188
FDA SRS 83R5N9X74B
PubChem 95168
SureChEMBL SCHEMBL571689
ZINC ZINC00538127
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