Urolithin A
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Urolithin A
- DrugBank Accession Number
- DB15464
- Background
Urolithin A is a metabolite of ellagic acid. It has been demonstrated to stimulate mitophagy and improve muscle health in old animals and in preclinical models of aging.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 228.2002
Monoisotopic: 228.042258744 - Chemical Formula
- C13H8O4
- Synonyms
- 3,8-Dihydroxyurolithin
- 3,8-Hydroxydibenzo-alpha-pyrone
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Coumarins and derivatives
- Sub Class
- Not Available
- Direct Parent
- Coumarins and derivatives
- Alternative Parents
- Isocoumarins and derivatives / 2-benzopyrans / 1-benzopyrans / Pyranones and derivatives / 1-hydroxy-2-unsubstituted benzenoids / Heteroaromatic compounds / Lactones / Oxacyclic compounds / Organooxygen compounds / Organic oxides show 1 more
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / 2-benzopyran / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Coumarin / Heteroaromatic compound / Hydrocarbon derivative / Isocoumarin show 8 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ILJ8NEF6DT
- CAS number
- 1143-70-0
- InChI Key
- RIUPLDUFZCXCHM-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
- IUPAC Name
- 3,8-dihydroxy-6H-benzo[c]chromen-6-one
- SMILES
- OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2
References
- General References
- Pénélope A. Andreux, William Blanco-Bose, Dongryeol Ryu, Frédéric Burdet, Mark Ibberson, Patrick Aebischer, Johan Auwerx, Anurag Singh & Chris Rinsch: The mitophagy activator urolithin A is safe and induces a molecular signature of improved mitochondrial and cellular health in humans Nature Metabolism. 2019 June 14;1:595–603. [Article]
- External Links
- Human Metabolome Database
- HMDB0013695
- ChemSpider
- 4589709
- ChEMBL
- CHEMBL1836264
- ZINC
- ZINC000013484727
- Wikipedia
- Urolithin_A
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.263 mg/mL ALOGPS logP 2.16 ALOGPS logP 2.32 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 7.21 Chemaxon pKa (Strongest Basic) -7.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 60.9 m3·mol-1 Chemaxon Polarizability 22.26 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0fai-0980000000-794e7711dd60a731dd65 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-acfb75f1798234e09d48 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-f3e3b44cfd390e3fa779 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-0b867431d9cd5583458b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-0490000000-b70959313bf113603b50 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0pbi-0920000000-79ee9d733167ff879dc8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-006t-0900000000-9c517a9faf3fe6405382 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 155.5515212 predictedDarkChem Lite v0.1.0 [M-H]- 155.7609212 predictedDarkChem Lite v0.1.0 [M-H]- 155.8440212 predictedDarkChem Lite v0.1.0 [M-H]- 150.7924 predictedDeepCCS 1.0 (2019) [M+H]+ 157.6601212 predictedDarkChem Lite v0.1.0 [M+H]+ 158.3509212 predictedDarkChem Lite v0.1.0 [M+H]+ 159.0381212 predictedDarkChem Lite v0.1.0 [M+H]+ 153.1504 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.9560212 predictedDarkChem Lite v0.1.0 [M+Na]+ 157.1069212 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.8659212 predictedDarkChem Lite v0.1.0 [M+Na]+ 159.24355 predictedDeepCCS 1.0 (2019)
Drug created at June 18, 2019 22:52 / Updated at June 12, 2020 16:53