GLUCONOLACTONE

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Synonyms
Status
Molecule Category Free-form
UNII WQ29KQ9POT
EPA CompTox DTXSID0026549

Structure

InChI Key PHOQVHQSTUBQQK-SQOUGZDYSA-N
Smiles O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O6
Molecular Weight 178.14
AlogP -3.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 107.22
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 81.83-89.12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.83-89.12

Cross References

Resources Reference
ChEBI 16217
ChEMBL CHEMBL1200829
DrugBank DB04564
DrugCentral 5144
FDA SRS WQ29KQ9POT
Human Metabolome Database HMDB0000150
KEGG C00198
PDB LGC
PubChem 7027
SureChEMBL SCHEMBL15320
ZINC ZINC000002539702
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