This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Hydroxytyrosol
- DrugBank Accession Number
- DB12771
- Background
Hydroxytyrosol has been used in trials studying the prevention of Breast Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Hydroxytyrosol (DB12771)
- Weight
- Average: 154.1632
Monoisotopic: 154.062994186 - Chemical Formula
- C8H10O3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The risk or severity of bleeding can be increased when Hydroxytyrosol is combined with Abciximab. Abrocitinib The risk or severity of bleeding and thrombocytopenia can be increased when Hydroxytyrosol is combined with Abrocitinib. Aceclofenac The risk or severity of bleeding can be increased when Aceclofenac is combined with Hydroxytyrosol. Acemetacin The risk or severity of bleeding can be increased when Acemetacin is combined with Hydroxytyrosol. Acenocoumarol The risk or severity of bleeding can be increased when Hydroxytyrosol is combined with Acenocoumarol. Acetylsalicylic acid Acetylsalicylic acid may increase the antiplatelet activities of Hydroxytyrosol. Alclofenac The risk or severity of bleeding can be increased when Alclofenac is combined with Hydroxytyrosol. Aldesleukin The risk or severity of bleeding can be increased when Hydroxytyrosol is combined with Aldesleukin. Alemtuzumab The risk or severity of bleeding can be increased when Hydroxytyrosol is combined with Alemtuzumab. Alteplase The risk or severity of bleeding can be increased when Hydroxytyrosol is combined with Alteplase. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenols
- Sub Class
- Tyrosols and derivatives
- Direct Parent
- Tyrosols
- Alternative Parents
- Catechols / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Primary alcohols / Hydrocarbon derivatives
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alcohol / Aromatic homomonocyclic compound / Catechol / Hydrocarbon derivative / Monocyclic benzene moiety / Organic oxygen compound / Organooxygen compound / Primary alcohol
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- catechols, primary alcohol (CHEBI:68889)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QEU0NE4O90
- CAS number
- 10597-60-1
- InChI Key
- JUUBCHWRXWPFFH-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
- IUPAC Name
- 4-(2-hydroxyethyl)benzene-1,2-diol
- SMILES
- OCCC1=CC=C(O)C(O)=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0005784
- PubChem Compound
- 82755
- PubChem Substance
- 347828956
- ChemSpider
- 74680
- 1314227
- ChEBI
- 68889
- ChEMBL
- CHEMBL1950045
- ZINC
- ZINC000002379217
- PDBe Ligand
- 975
- Wikipedia
- Hydroxytyrosol
- PDB Entries
- 5nsl / 5o47
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment (NAFLD) 1 2, 3 Completed Prevention Breast Cancer 1
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 17.4 mg/mL ALOGPS logP 0.13 ALOGPS logP 0.89 ChemAxon logS -0.95 ALOGPS pKa (Strongest Acidic) 9.45 ChemAxon pKa (Strongest Basic) -2.4 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 60.69 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 41.59 m3·mol-1 ChemAxon Polarizability 15.74 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No 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 Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 00:09 / Updated at June 12, 2020 16:53