AZADIRADIONE

/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 KWAMDQVQFVBEAU-HMWIRDDCSA-N
Smiles CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5
InChI
InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H34O5
Molecular Weight 450.57
AlogP 4.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 73.58
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 33.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 500 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 2.0 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 400 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 49.5 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 200 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 79.3 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 300 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 62.9 ug
Antifeedant activity against Reticulitermes speratus assessed as antifeedant consumption at 100 ug/disk after 30 days by no-choice bioassay Reticulitermes speratus 55.1 ug
Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 827.5 ug Antifeedant activity against Reticulitermes speratus assessed per disk after 30 days by no-choice bioassay Reticulitermes speratus 238.5 ug
Antifeedant activity against Reticulitermes speratus assessed as survival at 400 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 24.5 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 500 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 0.5 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 300 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 39.0 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 200 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 65.5 %
Antifeedant activity against Reticulitermes speratus assessed as survival at 100 ug/disk after 30 days by no-choice bioassay (Rvb = 92.5%) Reticulitermes speratus 73.0 %
Antifeedant activity against Spodoptera littoralis assessed as antifeedant index at 100 ppm Spodoptera littoralis 1.0 %
Antifungal activity against Puccinia arachidis in ground nut assessed as rust pustule count at 10 ug/cm'2 measured after 12 days from inoculation Puccinia arachidis 76.9 %
Antifungal activity against Puccinia arachidis in ground nut assessed as rust pustule count at 1 ug/cm'2 measured after 12 days from inoculation (Rvb = 22.73 %) Puccinia arachidis 75.7 %
Antifeedant activity against larvae of Spodoptera litura in castor leaves relative to control Spodoptera litura 35.5 %

Cross References

Resources Reference
ChEMBL CHEMBL1215754
PubChem 12308714
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