CINNAMALDEHYDE

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Synonyms
UNII SR60A3XG0F
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 KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Smiles O=C\C=C\c1ccccc1
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8O
Molecular Weight 132.16
AlogP 1.95
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against second juvenile stage (J2) of Meloidogyne incognita (root-knot nematode) assessed as mortality incubated in the dark at 28 degC after 3 days by light microscopy (benficial crop Tomato) Meloidogyne incognita 12.24 ug.mL-1
Nematicidal activity against second juvenile stage (J2) of Meloidogyne incognita (root-knot nematode) assessed as mortality incubated in the dark at 28 degC after 2 days by light microscopy (benficial crop Tomato) Meloidogyne incognita 13.94 ug.mL-1
Nematicidal activity against second juvenile stage (J2) of Meloidogyne incognita (root-knot nematode) assessed as mortality incubated in the dark at 28 degC after 1 day by light microscopy (benficial crop Tomato) Meloidogyne incognita 15.14 ug.mL-1
Antifungal activity against Rhizoctonia solani Rhizoctonia solani 169.0 ug.mL-1
Insecticidal activity against Mechoris ursulus assessed as mortality at 1 mg/paper at 25 +/- 1 degC measured after 48 hr by filter paper diffusion method Mechoris ursulus 83.3 %
Insecticidal activity against Mechoris ursulus assessed as mortality at 2.5 mg/paper at 25 +/- 1 degC measured after 48 hr by filter paper diffusion method Mechoris ursulus 100.0 %
Insecticidal activity against Mechoris ursulus assessed as mortality at 5 mg/paper at 25 +/- 1 degC measured after 48 hr by filter paper diffusion method Mechoris ursulus 100.0 %
Antimicrobial activity against Trichophyton rubrum MTCC 296 assessed as growth inhibition after 5 days by broth microdilution method Trichophyton rubrum 470000.0 nM
Antimicrobial activity against Aspergillus sydowii MTCC 4335 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus sydowii 3780000.0 nM
Antimicrobial activity against Aspergillus parasiticus MTCC 2797 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus parasiticus 3780000.0 nM
Antimicrobial activity against Aspergillus niger MTCC 404 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus niger 1890000.0 nM
Antimicrobial activity against Pichia kudriavzevii MTCC 231 assessed as growth inhibition after 24 hr by broth microdilution method Pichia kudriavzevii 470000.0 nM
Antimicrobial activity against Candida albicans MTCC 3017 assessed as growth inhibition after 24 hr by broth microdilution method Candida albicans 470000.0 nM
Antimicrobial activity against Enterobacter cloacae MTCC 509 assessed as growth inhibition after 24 hr by broth microdilution method Enterobacter cloacae 1890000.0 nM
Antimicrobial activity against Pseudomonas aeruginosa MTCC 424 assessed as growth inhibition after 24 hr by broth microdilution method Pseudomonas aeruginosa 1890000.0 nM
Antimicrobial activity against Klebsiella pneumoniae MTCC 109 assessed as growth inhibition after 24 hr by broth microdilution method Klebsiella pneumoniae 3780000.0 nM
Antimicrobial activity against Escherichia coli MTCC 43 assessed as growth inhibition after 24 hr by broth microdilution method Escherichia coli 1890000.0 nM
Antimicrobial activity against Burkholderia cepacia MTCC 438 assessed as growth inhibition after 24 hr by broth microdilution method Burkholderia cepacia 1890000.0 nM
Antimicrobial activity against Micrococcus luteus MTCC 2470 assessed as growth inhibition after 24 hr by broth microdilution method Micrococcus luteus 3780000.0 nM
Antimicrobial activity against Bacillus subtilis MTCC 121 assessed as growth inhibition after 24 hr by broth microdilution method Bacillus subtilis 1890000.0 nM
Antimicrobial activity against Staphylococcus aureus MTCC 3160 assessed as growth inhibition after 24 hr by broth microdilution method Staphylococcus aureus 1890000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL293492
FDA SRS SR60A3XG0F
PubChem 637511
SureChEMBL SCHEMBL3441
CONTENTS