Synonyms
UNII 6287WC5J2L
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 ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Smiles Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O4
Molecular Weight 254.24
AlogP 2.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 66.76
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Drug metabolism in fourth instar larval stage of Spodoptera litura assessed in excrements after feeding diet containing compound by HPLC analysis Spodoptera litura None
Insecticidal activity against fourth instar larval stage of Spodoptera litura in glandless fresh cabbage leaves assessed as growth inhibition measured 3 days after feeding diet containing compound Spodoptera litura None
Antifeedant activity against fourth instar larval stage of Spodoptera litura on fresh cabbage leaves Spodoptera litura None
Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry Saccharomyces cerevisiae 1.15

Cross References

Resources Reference
ChEMBL CHEMBL8145
FDA SRS 6287WC5J2L
PDB ZF1
PubChem 5281708
SureChEMBL SCHEMBL19814
ZINC ZINC18847034