SALANNIN

/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 CJHBVBNPNXOWBA-NCVPXDMDSA-N
Smiles COC(=O)C[C@@H]1[C@@]2(C)[C@H](C[C@@H](OC(=O)C)[C@@]3(C)CO[C@@H]([C@H]4O[C@@H]5C[C@H](C(=C5[C@@]14C)C)c6cocc6)[C@H]23)OC(=O)\C(=C/C)\C
InChI
InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9-/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H44O9
Molecular Weight 596.71
AlogP 3.71
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 110.5
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 43.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against Spodoptera litura in compound treated cork borer from fresh sweet potato leaves assessed as leaf disk consumed at 26.5 degC Spodoptera litura 7.18 Antifeedant activity against Spodoptera litura in compound treated cork borer from fresh sweet potato leaves assessed as leaf disk consumed at 26.5 degC Spodoptera litura 0.066 umol/cm2
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 150 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 0.5 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 75 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 0.8 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 125 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 0.8 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 100 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 1.4 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 25 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 3.7 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 50 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 1.8 ug
Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 19.5 ug Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 203.3 ug
Antifeedant activity against Reticulitermes speratus assessed as survival at 150 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 30.7 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 125 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 17.3 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 100 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 40.0 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 75 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 29.3 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 50 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 58.7 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 25 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 90.7 %
Antifeedant activity against Reticulitermes speratus assessed as reduction in feeding at 100 to 200 ug/disk after 30 days by no-choice bioassay relative to vehicle-control Reticulitermes speratus 80.0 %
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 33.53 %
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 16.63 %
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 49.62 %
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 0.557 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 0.258 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 1.56 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 49.6 %
Antifeedant activity against larvae of Spodoptera litura in castor leaves relative to control Spodoptera litura 36.3 %

Cross References

Resources Reference
ChEMBL CHEMBL1774412
PubChem 54587249
CONTENTS