ASCORBIC ACID

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G01AD03
UNII: PQ6CK8PD0R

Structure
InChI Key CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Smile 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

Action Mechanism of Action Reference
None Supplement FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 26500 - 43400 95-96
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 80
Enzyme Oxidoreductase
- 32500 - - 30-42
Enzyme
- 26500 - 43400 30-42
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
1 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 84

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia 4 D011014 ClinicalTrials
Atrial Flutter 3 D001282 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Complex Regional Pain Syndromes 3 D020918 ClinicalTrials
Macular Degeneration 3 D008268 ClinicalTrials
Diabetes Mellitus 3 D003920 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Sepsis 3 D018805 ClinicalTrials
Glioma 3 D005910 ClinicalTrials
Glioma 3 D005910 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Myocardial Ischemia 3 D017202 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Respiratory Tract Infections 3 D012141 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Anorexia 3 D000855 ClinicalTrials
Respiratory Distress Syndrome 3 D012128 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Lymphoma, Non-Hodgkin 2 D008228 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Epilepsy 2 D004827 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Muscular Diseases 2 D009135 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Tobacco Use Disorder 2 D014029 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Stomatitis 2 D013280 ClinicalTrials
Charcot-Marie-Tooth Disease 2 D002607 ClinicalTrials
beta-Thalassemia 2 D017086 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
Carotid Artery Diseases 2 D002340 ClinicalTrials
Heart Arrest 2 D006323 ClinicalTrials
Intracranial Arteriosclerosis 2 D002537 ClinicalTrials
Fatigue 2 D005221 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Shock 2 D012769 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Charcot-Marie-Tooth Disease 2 D002607 ClinicalTrials
Leukemia, Promyelocytic, Acute 2 D015473 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Inflammation 2 D007249 ClinicalTrials
Virus Diseases 2 D014777 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Pulmonary Alveolar Proteinosis 1 D011649 ClinicalTrials
Ascorbic Acid Deficiency 1 D001206 ClinicalTrials
Temporomandibular Joint Disorders 1 D013705 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials
Diabetic Neuropathies 1 D003929 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Polycythemia Vera 1 D011087 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Asthma 1 D001249 ClinicalTrials
Hypoxia 1 D000860 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Burns 1 D002056 ClinicalTrials
Carcinoma, Pancreatic Ductal 1 D021441 ClinicalTrials
Autistic Disorder 1 D001321 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Acne Vulgaris 1 D000152 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Osteoarthritis 1 D010003 ClinicalTrials
Postpartum Hemorrhage 0 D006473 ClinicalTrials
Urinary Tract Infections 0 D014552 ClinicalTrials
Carcinoma, Basal Cell 0 D002280 ClinicalTrials

Related Entries

MCS

Mixture
Mixture
Mixture
Mixture
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Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
41.18
Gastrointestinal disorders
38.24
Musculoskeletal and connective tissue disorders
14.71
Injury, poisoning and procedural complications
2.94
Psychiatric disorders
2.94

Cross References

Resources Reference
CAS NUMBER 50-81-7
ChEBI 29073
ChEMBL CHEMBL196
DrugBank DB00126
DrugCentral 4072
EPA CompTox DTXSID5020106
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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