CIS-ASARONE

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Synonyms
UNII IGA3MH6IUW
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 RKFAZBXYICVSKP-WAYWQWQTSA-N
Smiles COc1cc(OC)c(\C=C/C)cc1OC
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16O3
Molecular Weight 208.25
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 27.69
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 15.0
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 15.8 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.6 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 96.2 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as nematode mortality at 0.4 mg/mL measured 24 hr post dose by microscopy Bursaphelenchus xylophilus 47.9 %
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 %
Antifungal activity against Magnaporthe grisea infested rice plant grown under greenhouse condition assessed as reduction in lesion formation on second leaves at 500 ug/ml sprayed at eight-leaf stage 1 day prior inoculation measured after 5 days post inoculation Magnaporthe grisea None
Antifungal activity against Magnaporthe grisea infested rice plant grown under greenhouse condition assessed as reduction in lesion formation on second leaves at 100 ug/ml sprayed at eight-leaf stage 1 day prior inoculation measured after 5 days post inoculation Magnaporthe grisea None
Antifungal activity against Colletotrichum orbiculare infested cucumber plant grown under greenhouse condition assessed as supression of anthracnose development at 500 ug/ml sprayed at two-leaf stage 1 day prior inoculation measured after 6 days post inoculation Colletotrichum orbiculare None
Antifungal activity against Colletotrichum orbiculare infested cucumber plant grown under greenhouse condition assessed as reduction in lesion formation on second leaves at 500 ug/ml sprayed at two-leaf stage 1 day prior inoculation measured after 6 days post inoculation Colletotrichum orbiculare None
Antimicrobial activity against Xanthomonas euvesicatoria assessed as mycelial growth inhibition after 3 to 5 days Xanthomonas euvesicatoria 50.0 ug.mL-1
Antimicrobial activity against Saccharomyces cerevisiae assessed as mycelial growth inhibition after 3 to 5 days Saccharomyces cerevisiae 100.0 ug.mL-1
Antimicrobial activity against Ralstonia solanacearum assessed as mycelial growth inhibition after 3 to 5 days Ralstonia solanacearum 50.0 ug.mL-1
Antimicrobial activity against Pectobacterium carotovorum subsp. carotovorum assessed as mycelial growth inhibition after 3 to 5 days Pectobacterium carotovorum subsp. carotovorum 50.0 ug.mL-1
Antimicrobial activity against Candida albicans assessed as mycelial growth inhibition after 3 to 5 days Candida albicans 100.0 ug.mL-1
Antimicrobial activity against Sclerotinia sclerotiorum assessed as mycelial growth inhibition after 3 to 5 days Sclerotinia sclerotiorum 100.0 ug.mL-1
Antimicrobial activity against Bacillus subtilis assessed as mycelial growth inhibition after 3 to 5 days Bacillus subtilis 50.0 ug.mL-1
Antimicrobial activity against Rhizoctonia solani assessed as mycelial growth inhibition after 3 to 5 days Rhizoctonia solani 100.0 ug.mL-1
Antimicrobial activity against Pythium ultimum assessed as mycelial growth inhibition after 3 to 5 days Pythium ultimum 0.5 ug.mL-1
Antimicrobial activity against Magnaporthe grisea assessed as mycelial growth inhibition after 3 to 5 days Magnaporthe grisea 30.0 ug.mL-1
Antimicrobial activity against Phytophthora capsici assessed as mycelial growth inhibition after 3 to 5 days Phytophthora capsici 100.0 ug.mL-1
Antimicrobial activity against Fusarium oxysporum f. sp. lycopersici assessed as mycelial growth inhibition after 3 to 5 days Fusarium oxysporum f. sp. lycopersici 100.0 ug.mL-1
Antimicrobial activity against Ilyonectria radicicola assessed as mycelial growth inhibition after 3 to 5 days Ilyonectria radicicola 100.0 ug.mL-1
Antimicrobial activity against Colletotrichum orbiculare assessed as mycelial growth inhibition after 3 to 5 days Colletotrichum orbiculare 30.0 ug.mL-1
Antimicrobial activity against Cladosporium cucumerinum assessed as mycelial growth inhibition after 3 to 5 days Cladosporium cucumerinum 30.0 ug.mL-1
Antimicrobial activity against Alternaria mali assessed as mycelial growth inhibition at 100 ug/ml after 3 to 5 days Alternaria mali None
Antimicrobial activity against Botryotinia fuckeliana assessed as mycelial growth inhibition after 3 to 5 days Botryotinia fuckeliana 100.0 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL477752
FDA SRS IGA3MH6IUW
PubChem 5281758
SureChEMBL SCHEMBL528747
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