NARINGENIN

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Synonyms
Molecule Category Free-form
UNII HN5425SBF2
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 FTVWIRXFELQLPI-ZDUSSCGKSA-N
Smiles Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12O5
Molecular Weight 272.25
AlogP 2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 86.99
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 45700 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 45700 - - -

Cross References

Resources Reference
ChEMBL CHEMBL9352
FDA SRS HN5425SBF2
PDB NAR
PubChem 439246
SureChEMBL SCHEMBL20570
ZINC ZINC00156701
CONTENTS