PRIEURIANIN

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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 KEIRAXFVAMECMP-VFOAQDGDSA-N
Smiles CC[C@@H](C)[C@@H](O)C(=O)O[C@H]1[C@H](OC=O)[C@@H](C(=C)[C@@]2(O)C(=O)C[C@@H](c3cocc3)[C@]12C)[C@@]4(C)[C@H](CC(=O)O[C@](C)(COC(=O)C)[C@@H]4C(=O)OC)OC(=O)C
InChI
InChI=1S/C37H48O16/c1-10-18(2)28(43)32(44)52-31-29(50-17-38)27(19(3)37(46)24(41)13-23(36(31,37)8)22-11-12-48-15-22)35(7)25(51-21(5)40)14-26(42)53-34(6,16-49-20(4)39)30(35)33(45)47-9/h11-12,15,17-18,23,25,27-31,43,46H,3,10,13-14,16H2,1-2,4-9H3/t18-,23+,25+,27-,28-,29-,30+,31+,34-,35-,36-,37-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H48O16
Molecular Weight 748.77
AlogP 1.6
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 228.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 53.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against third-instar larva of Helicoverpa armigera assessed as decrease in food consumption at 2 to 10 ug/larva applied topically measured after 7 days relative to control Helicoverpa armigera None
Antifeedant activity against Helicoverpa armigera fed on compound-treated artificial diet assessed as growth inhibition at 50 to 100 ppm after 3 days relative to control Helicoverpa armigera 60.0 %
Antifeedant activity against Helicoverpa armigera fed on compound-treated artificial diet assessed as inhibition of consumption at 100 ppm after 3 days relative to control Helicoverpa armigera 57.7 %
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as efficiency of conversion of ingested food at 10 ppm applied topically measured after 3 days (Rvb = 20.3 +/- 2.7%) Helicoverpa armigera 21.6 %
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as efficiency of conversion of ingested food at 5 ppm applied topically measured after 3 days (Rvb = 20.3 +/- 2.7%) Helicoverpa armigera 22.1 %
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as relative consumption rate ratio per unit weight per day at 10 ppm applied topically measured after 3 days (Rvb = 3.85 +/- 0.9) Helicoverpa armigera 3.79
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as relative consumption rate ratio per unit weight per day at 5 ppm applied topically measured after 3 days (Rvb = 3.85 +/- 0.9) Helicoverpa armigera 3.74
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as relative growth rate ratio per unit weight per day at 10 ppm applied topically measured after 3 days (Rvb = 0.8 +/- 0.03) Helicoverpa armigera 0.82
Antifeedant activity against fourth-instar larva of Helicoverpa armigera assessed as relative growth rate ratio per unit weight per day at 5 ppm applied topically measured after 3 days (Rvb = 0.8 +/- 0.03) Helicoverpa armigera 0.83
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as efficiency of conversion of ingested food at 100 ppm after 3 days (Rvb = 20.3 +/- 2.7%) Helicoverpa armigera 19.8 %
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as efficiency of conversion of ingested food at 50 ppm after 3 days (Rvb = 20.3 +/- 2.7%) Helicoverpa armigera 20.0 %
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as relative consumption rate ratio per unit weight per day at 100 ppm after 3 days (Rvb = 3.85 +/- 0.9) Helicoverpa armigera 1.63
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as relative consumption rate ratio per unit weight per day at 50 ppm after 3 days (Rvb = 3.85 +/- 0.9) Helicoverpa armigera 2.04
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as relative growth rate ratio per unit weight per day at 100 ppm after 3 days (Rvb = 0.8 +/- 0.03) Helicoverpa armigera 0.32
Antifeedant activity against fourth-instar larva of Helicoverpa armigera fed on compound treated artificial diet assessed as relative growth rate ratio per unit weight per day at 50 ppm after 3 days (Rvb = 0.8 +/- 0.03) Helicoverpa armigera 0.41
Antifeedant activity against third-instar larva of Helicoverpa armigera assessed as growth inhibition after 7 days by dietary assay Helicoverpa armigera 92.2 ppm
Antifeedant activity against pre-starved third-instar larva of Helicoverpa armigera after 6 hr by choice feeding assay Helicoverpa armigera 91.4 ppm
Antifeedant activity against pre-starved third-instar larva of Helicoverpa armigera assessed as decrease in feeding after 6 hr by choice feeding assay relative to control Helicoverpa armigera None
Antifeedant activity against third-instar larva of Helicoverpa armigera assessed as decrease in weight gain at 2 to 10 ug/larva applied topically measured after 7 days relative to control Helicoverpa armigera None
Antifeedant activity against neonate larva of Helicoverpa armigera assessed as growth inhibition after 7 days by dietary assay Helicoverpa armigera 169.2 ppm Antifeedant activity against neonate larva of Helicoverpa armigera assessed as growth inhibition after 7 days by dietary assay Helicoverpa armigera 18.8 ppm

Cross References

Resources Reference
ChEMBL CHEMBL3085392
PubChem 76313482
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