ASCORBIC ACID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G01AD03 S01XA15
UNII PQ6CK8PD0R
EPA CompTox DTXSID5020106

Structure

InChI Key CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Smiles O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O6
Molecular Weight 176.12
AlogP -1.41
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 107.22
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Mechanism of Action Action Reference
Supplement None FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 95-100
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 80
Enzyme Oxidoreductase
- - - - 29.8-85
Enzyme
- - - - 29.8-85
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
0.5 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 84.23-96.05
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- - - - 99
Cricetulus griseus
- - - - 84.23-96.05
Fungi
- - - - 98
Homo sapiens
0.5 10 - - 3.4-85
Mus musculus
- - - - 29.8-101.5
Ovis aries
- - - - 94.6
Rattus norvegicus
- - - - 0.85-154
malt
- - - - 95

Cross References

Resources Reference
ChEBI 29073
ChEMBL CHEMBL196
DrugBank DB00126
DrugCentral 4072
FDA SRS PQ6CK8PD0R
Human Metabolome Database HMDB0000044
Guide to Pharmacology 4781
KEGG C00072
PDB ASC
PubChem 54670067
SureChEMBL SCHEMBL785
ZINC ZINC000100006770
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