BITTERBARKOMYCIN

/static/temp/default.svg Search structure
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 UDHQNZMBFMIXGG-UOVRURQMSA-N
Smiles CC(C)COC[C@]12[C@H](OCc3ccccc3)[C@@H](OCC(C)C)[C@@H]4[C@@H](O)[C@]1(OC4(C)C)[C@@](C)(O)C[C@H](OC(=O)C)[C@@H]2OC(=O)C
InChI
InChI=1S/C34H52O10/c1-20(2)16-39-19-33-29(43-23(6)36)25(42-22(5)35)15-32(9,38)34(33)28(37)26(31(7,8)44-34)27(40-17-21(3)4)30(33)41-18-24-13-11-10-12-14-24/h10-14,20-21,25-30,37-38H,15-19H2,1-9H3/t25-,26+,27-,28+,29-,30+,32-,33-,34-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H52O10
Molecular Weight 620.77
AlogP 2.46
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 129.98
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 44.0
Assay Description Organism Bioactivity Reference
Reduction of progeny production in adult Cryptolestes ferrugineus (rusty grain beetle) at 0.0875 to 0.0375 to ppm exposed on wheat Cryptolestes ferrugineus None
Reduction of progeny production in adult Tribolium castaneum (red flour beetle) at 0.0875 to 0.0375 to ppm exposed on wheat Tribolium castaneum None
Reduction of progeny production in adult Sitophilus zeamais at 0.0875 to 0.0375 to ppm exposed on wheat Sitophilus zeamais None
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0875 ppm exposed for 14 days on wheat Cryptolestes ferrugineus 100.0 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.075 ppm exposed for 14 days on wheat Cryptolestes ferrugineus 100.0 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0625 ppm exposed for 14 days on wheat Cryptolestes ferrugineus 90.3 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.05 ppm exposed for 14 days on wheat Cryptolestes ferrugineus 86.7 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0375 ppm exposed for 14 days on wheat Cryptolestes ferrugineus 83.8 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0875 ppm exposed for 7 days on wheat Cryptolestes ferrugineus 100.0 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.075 ppm exposed for 7 days on wheat Cryptolestes ferrugineus 98.2 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0625 ppm exposed for 7 days on wheat Cryptolestes ferrugineus 76.1 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.05 ppm exposed for 7 days on wheat Cryptolestes ferrugineus 70.7 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0375 ppm exposed for 7 days on wheat Cryptolestes ferrugineus 64.0 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.075 ppm exposed for 5 days on wheat Sitophilus zeamais 80.2 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0625 ppm exposed for 5 days on wheat Sitophilus zeamais 68.4 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.05 ppm exposed for 5 days on wheat Sitophilus zeamais 59.1 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0375 ppm exposed for 5 days on wheat Sitophilus zeamais 39.8 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0875 ppm exposed for 5 days on wheat Sitophilus zeamais 85.3 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0375 ppm exposed for 7 days on wheat Sitophilus zeamais 52.4 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.05 ppm exposed for 7 days on wheat Sitophilus zeamais 65.1 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0625 ppm exposed for 7 days on wheat Sitophilus zeamais 72.2 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.075 ppm exposed for 7 days on wheat Sitophilus zeamais 86.0 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0875 ppm exposed for 7 days on wheat Sitophilus zeamais 90.4 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0375 ppm exposed for 14 days on wheat Sitophilus zeamais 64.4 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.05 ppm exposed for 14 days on wheat Sitophilus zeamais 73.8 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0625 ppm exposed for 14 days on wheat Sitophilus zeamais 83.1 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.075 ppm exposed for 14 days on wheat Sitophilus zeamais 92.9 %
Insecticidal activity against adult Sitophilus zeamais assessed as mortality at 0.0875 ppm exposed for 14 days on wheat Sitophilus zeamais 98.2 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0375 ppm exposed for 5 days on wheat Tribolium castaneum 19.6 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.05 ppm exposed for 5 days on wheat Tribolium castaneum 21.8 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0625 ppm exposed for 5 days on wheat Tribolium castaneum 23.3 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.075 ppm exposed for 5 days on wheat Tribolium castaneum 33.6 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0875 ppm exposed for 5 days on wheat Tribolium castaneum 50.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0375 ppm exposed for 7 days on wheat Tribolium castaneum 48.2 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.05 ppm exposed for 7 days on wheat Tribolium castaneum 56.2 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0625 ppm exposed for 7 days on wheat Tribolium castaneum 60.4 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.075 ppm exposed for 7 days on wheat Tribolium castaneum 63.1 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0875 ppm exposed for 7 days on wheat Tribolium castaneum 68.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0375 ppm exposed for 14 days on wheat Tribolium castaneum 66.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.05 ppm exposed for 14 days on wheat Tribolium castaneum 86.0 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0625 ppm exposed for 14 days on wheat Tribolium castaneum 95.8 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.075 ppm exposed for 14 days on wheat Tribolium castaneum 99.6 %
Insecticidal activity against adult Tribolium castaneum (red flour beetle) assessed as mortality at 0.0875 ppm exposed for 14 days on wheat Tribolium castaneum 100.0 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0375 ppm exposed for 5 days on wheat Cryptolestes ferrugineus 44.7 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.05 ppm exposed for 5 days on wheat Cryptolestes ferrugineus 47.6 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0625 ppm exposed for 5 days on wheat Cryptolestes ferrugineus 53.1 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.075 ppm exposed for 5 days on wheat Cryptolestes ferrugineus 88.4 %
Insecticidal activity against adult Cryptolestes ferrugineus (rusty grain beetle) assessed as mortality at 0.0875 ppm exposed for 5 days on wheat Cryptolestes ferrugineus 92.9 %

Cross References

Resources Reference
ChEMBL CHEMBL2251594
CONTENTS