SLAZINIC ACID

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Synonyms
Molecule Category Free-form
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

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Athelia rolfsii
- - - - 5.93-38.2
Fusarium udum
- - - - 31-67
Pythium aphanidermatum
- - - - 11.06-61
Pythium debaryanum
- - - - 11.93-43.46
Rhizoctonia bataticola
- - - - 9-41.2
Rhizoctonia solani
- - - - 22.1-45.2

Cross References

Resources Reference
ChEMBL CHEMBL172439
PubChem 5320418
SureChEMBL SCHEMBL3801772
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