Structure

InChI Key FBPFZTCFMRRESA-KVTDHHQDSA-N
Smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O6
Molecular Weight 182.17
AlogP -3.59
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 121.38
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Compound was tested for inhibition of Human acrosin by polyols None 29.0 %
Compound was tested for its ability to inhibit DNA strand scission induced by resveratrol and Cu2+, at concentration 50 mM Escherichia coli 0.6 %
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy Homo sapiens -1.4 %
Antioxidant activity assessed as inhibition of hydroxyl radical at 100 ug/mL None 48.0 %
Antioxidant activity assessed as inhibition of microsomal lipid peroxidation at 100 ug/mL None 45.0 %
Antioxidant activity assessed as inhibition non-enzymatic reactants generated hydroxyl radical production at 100 ug/ml by spectrophotometry None 52.0 %
Antioxidant activity assessed as inhibition non-enzymatic reactants generated hydroxyl radical production at 100 ug/ml after 90 mins by spectrophotometry None 40.0 %
Antioxidant activity assessed as inhibition of hydroxyl radical generation at 200 ug/ml by spectrophotometry None 41.0 %
Antioxidant activity assessed as inhibition of hydroxy radical generation at 100 ug/ml after 90 min by thiobarbuteric acid method None -42.0 %
Antioxidant activity assessed as inhibition of microsomal lipid peroxidation at 200 ug/mL by spectrophotometric analysis relative to control None 49.0 %
Antioxidant activity assessed as inhibition of hydroxyl radical generation at 200 ug/mL after 90 mins by spectrophotometric analysis relative to control None 49.0 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 18.6 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.03 %

Related Entries

Cross References

Resources Reference
ChEBI 16899
ChEMBL CHEMBL689
DrugBank DB00742
DrugCentral 935
FDA SRS 3OWL53L36A
Human Metabolome Database HMDB0000765
KEGG C00392
PDB MTL
PubChem 6251
SureChEMBL SCHEMBL919
ZINC ZINC000002041302