BAEOMYCESIC ACID

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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 DUIBXZLCROUOFD-UHFFFAOYSA-N
Smiles COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C=O
InChI
InChI=1S/C19H18O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-7,21-22H,1-4H3,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18O8
Molecular Weight 374.34
AlogP 3.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 130.36
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Pythium debaryanum assessed as growth inhibition by poisoned food technique Pythium debaryanum 143.5 ug ml-1
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Pythium debaryanum 18.3 %
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 125 ug/ml by poisoned food technique Pythium debaryanum 38.23 %
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 250 ug/ml by poisoned food technique Pythium debaryanum 77.14 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition by poisoned food technique Pythium aphanidermatum 148.9 ug ml-1
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Pythium aphanidermatum 11.36 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 125 ug/ml by poisoned food technique Pythium aphanidermatum 29.3 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 250 ug/ml by poisoned food technique Pythium aphanidermatum 44.4 %
Antifungal activity against Fusarium udum assessed as growth inhibition by poisoned food technique Fusarium udum 109.85 ug ml-1
Antifungal activity against Fusarium udum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Fusarium udum 33.46 %
Antifungal activity against Fusarium udum assessed as growth inhibition at 125 ug/ml by poisoned food technique Fusarium udum 47.13 %
Antifungal activity against Fusarium udum assessed as growth inhibition at 250 ug/ml by poisoned food technique Fusarium udum 57.86 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition by poisoned food technique Rhizoctonia bataticola 149.87 ug ml-1
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Rhizoctonia bataticola 17.1 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 125 ug/ml by poisoned food technique Rhizoctonia bataticola 28.4 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 250 ug/ml by poisoned food technique Rhizoctonia bataticola 49.13 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition by poisoned food technique Rhizoctonia solani 71.28 ug ml-1
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Rhizoctonia solani 33.4 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 125 ug/ml by poisoned food technique Rhizoctonia solani 61.4 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 250 ug/ml by poisoned food technique Rhizoctonia solani 81.63 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition by poisoned food technique Athelia rolfsii 86.65 ug ml-1
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Athelia rolfsii 32.2 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 125 ug/ml by poisoned food technique Athelia rolfsii 44.43 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 250 ug/ml by poisoned food technique Athelia rolfsii 72.4 %

Cross References

Resources Reference
ChEMBL CHEMBL2227773
PubChem 5321461
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