Structure

InChI Key KJXSIXMJHKAJOD-LSDHHAIUSA-N
Smile O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
InChI
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12O8
Molecular Weight 320.25
AlogP 0.89
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 1.0
Polar Surface Area 147.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- 12800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 28429
ChEMBL CHEMBL3348861
DrugBank DB15645
EPA CompTox DTXSID50181676
FDA SRS KD8QND6427
KEGG C02906
SureChEMBL SCHEMBL723736
ZINC ZINC000100037633