Synonyms
UNII NRY8I0KNIR
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 NPNUFJAVOOONJE-FLFDDASRSA-N
Smiles C\C\1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.35
AlogP 4.75
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
Antimicrobial activity against Escherichia coli O157:H7 ATCC 43894 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Escherichia coli O157:H7 12.8 %
Antimicrobial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Staphylococcus aureus 54.7 %
Antimicrobial activity against Listeria monocytogenes ATCC 19111 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Listeria monocytogenes 7.2 %
Antimicrobial activity against Vibrio parahaemolyticus ATCC 33844 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Vibrio parahaemolyticus 26.5 %
Antimicrobial activity against Salmonella enterica subsp. enterica serovar Typhimurium ATCC 14028 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Salmonella enterica subsp. enterica serovar Typhimurium 10.2 %
Antimicrobial activity against Bacillus cereus ATCC 11778 assessed as growth inhibition rate at 1470.8 mg/l after 72 hr by spectrophotometry Bacillus cereus 32.1 %

Cross References

Resources Reference
ChEMBL CHEMBL448700
FDA SRS NRY8I0KNIR
PubChem 5281522
SureChEMBL SCHEMBL310637
ZINC ZINC30726969