Synonyms
UNII X23PI60R17
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 CRDAMVZIKSXKFV-YFVJMOTDSA-N
Smiles CC(=CCC\C(=C\CC\C(=C\CO)\C)\C)C
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O
Molecular Weight 222.37
AlogP 4.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against Myzus persicae (green peach aphid) assessed feeding settling inhibition index at 50 ug/cm2 relative to untreated control Myzus persicae 90.6 %
Antifeedant activity against adult of Rhopalosiphum padi in Hordeum vulgare by choice test Rhopalosiphum padi 7.9 nmol/cm2
Antifeedant activity against adult of Myzus persicae (green peach aphid) in Hordeum vulgare by choice test Myzus persicae 67.1 nmol/cm2
Antifeedant activity against adult of Leptinotarsa decemlineata in Capsicum annuum by choice test Leptinotarsa decemlineata 107.3 nmol/cm2

Cross References

Resources Reference
ChEMBL CHEMBL25308
FDA SRS X23PI60R17
PubChem 445070
SureChEMBL SCHEMBL58068
ZINC ZINC01532860