OXOLINIC ACID

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Synonyms
UNII L0A22B22FT
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 KYGZCKSPAKDVKC-UHFFFAOYSA-N
Smiles CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12
InChI
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11NO5
Molecular Weight 261.23
AlogP 1.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 76.07
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 10% treated 3 months before inoculation measured after 9 months by measuring dead trees relative to control Bursaphelenchus xylophilus 74.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 10% treated 3 months before inoculation measured after 9 months by measuring dead trees Bursaphelenchus xylophilus 23.3 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 30 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition relative to control Bursaphelenchus xylophilus 57.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 10 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition relative to control Bursaphelenchus xylophilus 57.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 3 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition relative to control Bursaphelenchus xylophilus 71.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 30 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition Bursaphelenchus xylophilus 30.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 10 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition Bursaphelenchus xylophilus 30.0 %
Nematicidal activity against Bursaphelenchus xylophilus in pot-grown three-year-old trees of Pinus densiflora assessed as reduction of disease incidence at 3 mg/seedlings treated 7 days before inoculation measured after 1 month by measuring dead seedling under greenhouse condition Bursaphelenchus xylophilus 20.0 %
Nematicidal activity against Bursaphelenchus xylophilus assessed as mortality at 10 mg/l after 48 hr Bursaphelenchus xylophilus 22.0 %
Antibacterial activity against Serratia marcescens subsp. marcescens KRICT4 at 1.6 mg/l after 24 hr Serratia marcescens subsp. marcescens None
Antibacterial activity against Ewingella americana KRICT5 at 1.6 mg/l after 24 hr Ewingella americana None
Antibacterial activity against [Brevibacterium] frigoritolerans KRICT2 at 1.6 mg/l after 24 hr [Brevibacterium] frigoritolerans None

Cross References

Resources Reference
ChEMBL CHEMBL416755
FDA SRS L0A22B22FT
PDB OXI
PubChem 4628
SureChEMBL SCHEMBL24445
ZINC ZINC00001875
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