HEPTYL FORMATE

/static/temp/default.svg Search structure
UNII PU6O623G48
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 XEAMDSXSXYAICO-UHFFFAOYSA-N
Smiles CCCCCCCOC=O
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.21
AlogP 2.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Disruption of mitochondria in insecticide-susceptible Drosophila melanogaster Hikone-R assessed as increase in cytochrome c release from mitochondria to cytosol at 1 mM by western blot analysis Drosophila melanogaster None
Disruption of mitochondria in insecticide-susceptible Drosophila melanogaster Canton-S assessed as increase in cytochrome c release from mitochondria to cytosol at 1 mM by western blot analysis Drosophila melanogaster None
Inhibition of cytochrome c oxidase in insecticide-resistance Drosophila melanogaster Hikone-R mitochondria at 100 mM using reduced cytochrome c as substrate by microplate spectrophotometer analysis Drosophila melanogaster 8.0 %
Inhibition of cytochrome c oxidase in insecticide-susceptible Drosophila melanogaster Canton-S mitochondria at 100 mM using reduced cytochrome c as substrate by microplate spectrophotometer analysis Drosophila melanogaster 8.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2270392
FDA SRS PU6O623G48
PubChem 8169
SureChEMBL SCHEMBL93149
CONTENTS