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 VHIAMHVUKUKCHP-UXOAXIEHSA-N
Smiles C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC=C[C@]123
InChI
InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12-,14+,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.35
AlogP 3.88
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 15.0
Assay Description Organism Bioactivity Reference
Toxicity against Leptinotarsa decemlineata assessed as insect mortality administered through hemolymph injection after 72 hr Leptinotarsa decemlineata 24.0 %
Antifeedant activity against Leptinotarsa decemlineata assessed as inhibition of feeding by no-choice feeding assay relative to untreated control Leptinotarsa decemlineata 2.7 microg/cm2
Antifeedant activity against Leptinotarsa decemlineata assessed as inhibition of feeding by choice feeding assay relative to untreated control Leptinotarsa decemlineata 0.27 microg/cm2

Cross References

Resources Reference
ChEMBL CHEMBL458374
PubChem 44567200