General Information of Drug (ID: DMO071E)

Drug Name
Gluconolactone
Synonyms
gluconolactone; delta-gluconolactone; 90-80-2; D-glucono-1,5-lactone; D-Gluconolactone; 1,5-Gluconolactone; D-Gluconic acid lactone; Glucono delta-lactone; Gluconic acid lactone; 1,5-D-Gluconolactone; Gluconic lactone; Glucono delta lactone; (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one; Gluconic delta-lactone; D-Gluconic acid delta-lactone; d-(+)-Glucono-1,5-lactone; D-delta-Gluconolactone; delta-D-Gluconolactone; Deltagluconolactone; D-Gluconic delta-lactone; Glucarolactone; D-Aldonolactone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 178.14
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H10O6
IUPAC Name
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
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
InChIKey
PHOQVHQSTUBQQK-SQOUGZDYSA-N
Cross-matching ID
PubChem CID
7027
ChEBI ID
CHEBI:16217
CAS Number
90-80-2
DrugBank ID
DB04564
TTD ID
D04QWD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactase-phlorizin hydrolase (LCT) TTA0OSE LPH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.