APIGENIN DIMETHYLETHER

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII LVC8MF8MWR
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 LZERJKGWTQYMBB-UHFFFAOYSA-N
Smiles COc1ccc(cc1)C2=CC(=O)c3c(O)cc(OC)cc3O2
InChI
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14O5
Molecular Weight 298.29
AlogP 2.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 64.99
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - - 54.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Avian myeloblastosis virus
- - - - 54.8

Cross References

Resources Reference
ChEMBL CHEMBL350958
FDA SRS LVC8MF8MWR
PubChem 5281601
SureChEMBL SCHEMBL1176691
ZINC ZINC05733551
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