CINNAMIC ALCOHOL

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Synonyms
UNII SS8YOP444F
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 OOCCDEMITAIZTP-QPJJXVBHSA-N
Smiles OC\C=C\c1ccccc1
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O
Molecular Weight 134.18
AlogP 1.69
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.2 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 11.3 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.6 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 99.5 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.4 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 57.6 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.8 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 1 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 100.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 2 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 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 50.0 %
Antimicrobial activity against Trichophyton rubrum MTCC 296 assessed as growth inhibition after 5 days by broth microdilution method Trichophyton rubrum 1860000.0 nM
Antimicrobial activity against Aspergillus sydowii MTCC 4335 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus sydowii 3720000.0 nM
Antimicrobial activity against Aspergillus parasiticus MTCC 2797 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus parasiticus 3720000.0 nM
Antimicrobial activity against Aspergillus niger MTCC 404 assessed as growth inhibition after 5 days by broth microdilution method Aspergillus niger 3720000.0 nM
Antimicrobial activity against Pichia kudriavzevii MTCC 231 assessed as growth inhibition after 24 hr by broth microdilution method Pichia kudriavzevii 3720000.0 nM
Antimicrobial activity against Candida albicans MTCC 3017 assessed as growth inhibition after 24 hr by broth microdilution method Candida albicans 1860000.0 nM
Antimicrobial activity against Enterobacter cloacae MTCC 509 assessed as growth inhibition after 24 hr by broth microdilution method Enterobacter cloacae 7450000.0 nM
Antimicrobial activity against Pseudomonas aeruginosa MTCC 424 assessed as growth inhibition after 24 hr by broth microdilution method Pseudomonas aeruginosa 3720000.0 nM
Antimicrobial activity against Klebsiella pneumoniae MTCC 109 assessed as growth inhibition after 24 hr by broth microdilution method Klebsiella pneumoniae 3720000.0 nM
Antimicrobial activity against Escherichia coli MTCC 43 assessed as growth inhibition after 24 hr by broth microdilution method Escherichia coli 7450000.0 nM
Antimicrobial activity against Burkholderia cepacia MTCC 438 assessed as growth inhibition after 24 hr by broth microdilution method Burkholderia cepacia 1860000.0 nM
Antimicrobial activity against Micrococcus luteus MTCC 2470 assessed as growth inhibition after 24 hr by broth microdilution method Micrococcus luteus 7450000.0 nM
Antimicrobial activity against Bacillus subtilis MTCC 121 assessed as growth inhibition after 24 hr by broth microdilution method Bacillus subtilis 7450000.0 nM
Antimicrobial activity against Staphylococcus aureus MTCC 3160 assessed as growth inhibition after 24 hr by broth microdilution method Staphylococcus aureus 14900000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL324794
FDA SRS SS8YOP444F
PubChem 5315892
SureChEMBL SCHEMBL39219
ZINC ZINC01529427
CONTENTS