DEACETYLGEDUNIN

/static/temp/default.svg Search structure
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 HCEYJYMNIQHPPK-DXTZDJJUSA-N
Smiles CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c6cocc6)[C@@]2(C)C=CC1=O
InChI
InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32O6
Molecular Weight 440.53
AlogP 2.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 89.27
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 100 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 7.2 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 25 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 4.7 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 50 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 4.7 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 10 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 3.2 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 7.5 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 3.1 ug
Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 113.7 ug Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 22.5 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 5 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 2.2 ug
Antifeedant activity against Reticulitermes speratus assessed as survival at 100 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 12.0 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 50 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 20.0 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 10 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 73.3 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 25 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 45.3 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 7.5 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 87.3 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 5 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 91.3 %
Antifeedant activity against Reticulitermes speratus assessed as reduction in feeding at 50 ug/disk after 30 days by no-choice bioassay relative to vehicle-control Reticulitermes speratus 80.38 %
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as efficacy of conversion of digested food at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 46.45 +/- 4.12%) Cnaphalocrocis medinalis 36.13 %
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as efficacy of conversion of ingested food at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 20.81 +/- 1.58%) Cnaphalocrocis medinalis 17.51 %
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as approximate digestibility at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 44.81 +/- 4.12%) Cnaphalocrocis medinalis 48.46 %
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as relative consumption rate at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 0.524 +/- 0.03 mg/mg/day) Cnaphalocrocis medinalis 0.927 mg/mg/day
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as relative growth rate at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 0.524 +/- 0.03 mg/mg/day) Cnaphalocrocis medinalis 0.386 mg/mg/day
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as consumption index at 1 ppm measured every 24 hr for 4 days by gravimetric method (Rvb = 2.52 +/- 0.15 mg/mg/day) Cnaphalocrocis medinalis 2.21 mg/mg/day
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as reduction in diet consumption after 12 hr by leaf cut-choice assay Cnaphalocrocis medinalis None
Antifeedant activity against 4 hr starved fifth-instar larval stage of Cnaphalocrocis medinalis infested compound-treated rice leaves assessed as feeding deterrence index at 2 ppm after 12 hr by leaf cut-choice assay (Rvb = 0.05 +/- 0.003%) Cnaphalocrocis medinalis 23.6 %

Cross References

Resources Reference
ChEMBL CHEMBL465423
PubChem 3034112
ZINC ZINC03978096
CONTENTS