(+)-BETA-PINENE

/static/temp/default.svg Search structure
UNII IGO73S04D5
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 WTARULDDTDQWMU-RKDXNWHRSA-N
Smiles CC1(C)[C@@H]2CCC(=C)[C@H]1C2
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.23
AlogP 2.93
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 10.0
Assay Description Organism Bioactivity Reference
Antimicrobial activity against Escherichia coli O157:H7 ATCC 43894 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Escherichia coli O157:H7 3.4 %
Antimicrobial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Staphylococcus aureus 17.6 %
Antimicrobial activity against Listeria monocytogenes ATCC 19111 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Listeria monocytogenes 2.8 %
Antimicrobial activity against Vibrio parahaemolyticus ATCC 33844 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Vibrio parahaemolyticus 45.1 %
Antimicrobial activity against Salmonella enterica subsp. enterica serovar Typhimurium ATCC 14028 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Salmonella enterica subsp. enterica serovar Typhimurium 14.9 %
Antimicrobial activity against Bacillus cereus ATCC 11778 assessed as growth inhibition rate at 13.04 mg/l after 72 hr by spectrophotometry Bacillus cereus 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2269085
FDA SRS IGO73S04D5
PubChem 10290825
SureChEMBL SCHEMBL3506800
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