ISOPROPYL CINNAMATE

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UNII 6RWC10BDD7
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 RGACABDFLVLVCT-CMDGGOBGSA-N
Smiles CC(C)OC(=O)\C=C\c1ccccc1
InChI
InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14O2
Molecular Weight 190.24
AlogP 2.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Antifeedant activity against Hylobius abietis (pine weevil ) in compound pre-treated Scots pine twig at 50 mM measured after 24 hr by two-choice laboratory bioassay Hylobius abietis 96.0 %
Phytotoxicity against Brassica rapa subsp. chinensis assessed as growth inhibition of hypocotyl at 100 ppm treated to seeds after 3 days Brassica rapa subsp. chinensis 2.0 %
Phytotoxicity against Brassica rapa subsp. chinensis assessed as growth inhibition of radicle at 100 ppm treated to seeds after 3 days Brassica rapa subsp. chinensis 2.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 10 ppm after 4 to 5 days by agar dilution method Pythium 5.0 %
Fungitoxic activity against Pythium sp. assessed as mycelial growth inhibition at 100 ppm after 4 to 5 days by agar dilution method Pythium 82.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 100 ppm after 4 to 5 days by agar dilution method Athelia rolfsii 86.0 %
Fungitoxic activity against Athelia rolfsii assessed as mycelial growth inhibition at 10 ppm after 4 to 5 days by agar dilution method Athelia rolfsii 41.0 %
Antimicrobial activity against Trichophyton rubrum MTCC 296 assessed as growth inhibition after 5 days by broth microdilution method Trichophyton rubrum None
Antimicrobial activity against Aspergillus sydowii MTCC 4335 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus sydowii None
Antimicrobial activity against Aspergillus parasiticus MTCC 2797 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus parasiticus None
Antimicrobial activity against Aspergillus niger MTCC 404 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus niger None
Antimicrobial activity against Pichia kudriavzevii MTCC 231 assessed as growth inhibition after 24 hr by broth microdilution method Pichia kudriavzevii None
Antimicrobial activity against Candida albicans MTCC 3017 assessed as growth inhibition after 24 hr by broth microdilution method Candida albicans None
Antimicrobial activity against Enterobacter cloacae MTCC 509 assessed as growth inhibition after 24 hr by broth microdilution method Enterobacter cloacae None
Antimicrobial activity against Pseudomonas aeruginosa MTCC 424 assessed as growth inhibition after 24 hr by broth microdilution method Pseudomonas aeruginosa None
Antimicrobial activity against Klebsiella pneumoniae MTCC 109 assessed as growth inhibition after 24 hr by broth microdilution method Klebsiella pneumoniae None
Antimicrobial activity against Escherichia coli MTCC 43 assessed as growth inhibition after 24 hr by broth microdilution method Escherichia coli None
Antimicrobial activity against Burkholderia cepacia MTCC 438 assessed as growth inhibition after 24 hr by broth microdilution method Burkholderia cepacia None
Antimicrobial activity against Micrococcus luteus MTCC 2470 assessed as growth inhibition after 24 hr by broth microdilution method Micrococcus luteus None
Antimicrobial activity against Bacillus subtilis MTCC 121 assessed as growth inhibition after 24 hr by broth microdilution method Bacillus subtilis None
Antimicrobial activity against Staphylococcus aureus MTCC 3160 assessed as growth inhibition after 24 hr by broth microdilution method Staphylococcus aureus None

Cross References

Resources Reference
ChEMBL CHEMBL2252107
FDA SRS 6RWC10BDD7
PubChem 5273464
SureChEMBL SCHEMBL133104
ZINC ZINC02036793
CONTENTS