SLAZINIC ACID

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Synonyms
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 QQTKVXCQLZIJPP-UHFFFAOYSA-N
Smiles Cc1cc(O)c(C=O)c2Oc3c(OC(=O)c12)c(CO)c(O)c4C(=O)OC(O)c34
InChI
InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H12O10
Molecular Weight 388.28
AlogP 1.42
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 159.82
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 28.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Pythium debaryanum assessed as growth inhibition by poisoned food technique Pythium debaryanum 150.67 ug ml-1
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Pythium debaryanum 11.93 %
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 125 ug/ml by poisoned food technique Pythium debaryanum 28.06 %
Antifungal activity against Pythium debaryanum assessed as growth inhibition at 250 ug/ml by poisoned food technique Pythium debaryanum 43.46 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition by poisoned food technique Pythium aphanidermatum 121.22 ug ml-1
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Pythium aphanidermatum 11.06 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 125 ug/ml by poisoned food technique Pythium aphanidermatum 25.5 %
Antifungal activity against Pythium aphanidermatum assessed as growth inhibition at 250 ug/ml by poisoned food technique Pythium aphanidermatum 61.0 %
Antifungal activity against Fusarium udum assessed as growth inhibition by poisoned food technique Fusarium udum 88.2 ug ml-1
Antifungal activity against Fusarium udum assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Fusarium udum 31.0 %
Antifungal activity against Fusarium udum assessed as growth inhibition at 125 ug/ml by poisoned food technique Fusarium udum 50.13 %
Antifungal activity against Fusarium udum assessed as growth inhibition at 250 ug/ml by poisoned food technique Fusarium udum 67.0 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition by poisoned food technique Rhizoctonia bataticola 161.35 ug ml-1
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Rhizoctonia bataticola 9.0 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 125 ug/ml by poisoned food technique Rhizoctonia bataticola 26.8 %
Antifungal activity against Rhizoctonia bataticola assessed as growth inhibition at 250 ug/ml by poisoned food technique Rhizoctonia bataticola 41.2 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition by poisoned food technique Rhizoctonia solani 179.47 ug ml-1
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Rhizoctonia solani 22.1 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 125 ug/ml by poisoned food technique Rhizoctonia solani 30.2 %
Antifungal activity against Rhizoctonia solani assessed as growth inhibition at 250 ug/ml by poisoned food technique Rhizoctonia solani 45.2 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition by poisoned food technique Athelia rolfsii 164.1 ug ml-1
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 62.5 ug/ml by poisoned food technique Athelia rolfsii 5.93 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 125 ug/ml by poisoned food technique Athelia rolfsii 21.03 %
Antifungal activity against Athelia rolfsii assessed as growth inhibition at 250 ug/ml by poisoned food technique Athelia rolfsii 38.2 %
Toxicity against neonate larval stage of Spodoptera littoralis fed with diet containing compound assessed as reduction in larval survival at 15 to 110 umol/gm dry weight after 6 days by chronic feeding assay Spodoptera littoralis None
Change in pupal weight of Spodoptera littoralis fed with diet containing compound at 110 umol/gm dry weight treated for 6 days measured after transferring onto control diet by chronic feeding bioassay (Rvb = 0.40 +/-0.05 gms) Spodoptera littoralis 0.4 g
Prolongation of duration of larval period in Spodoptera littoralis fed with diet containing compound at 110 umol/gm dry weight treated for 6 days measured after transferring onto control diet by chronic feeding bioassay (Rvb = 17 to 20 days) Spodoptera littoralis 24.0 day
Growth retarding activity against neonate larval stage of Spodoptera littoralis fed with diet containing compound measured per gm of dry weight after 6 days by chronic feeding bioassay Spodoptera littoralis 29.2 uM

Cross References

Resources Reference
ChEMBL CHEMBL172439
PubChem 5320418
SureChEMBL SCHEMBL3801772
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