Pterostilbene
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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
- Pterostilbene
- DrugBank Accession Number
- DB17939
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 256.301
Monoisotopic: 256.109944375 - Chemical Formula
- C16H16O3
- Synonyms
- 3,5-DIMETHOXY-4'-HYDROXY-TRANS-STILBENE
- EH-301 COMPONENT PTEROSTILBENE
- PHENOL, 4-((1E)-2-(3,5-DIMETHOXYPHENYL)ETHENYL)-
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 26R60S6A5I
- CAS number
- 18259-15-9
- InChI Key
- VLEUZFDZJKSGMX-ONEGZZNKSA-N
- InChI
- InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
- IUPAC Name
- 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
- SMILES
- COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(OC)=C1
References
- General References
- Not Available
- External Links
- KEGG Compound
- C10287
- ChemSpider
- 4445042
- BindingDB
- 50131688
- ChEBI
- 8630
- ChEMBL
- CHEMBL83527
- ZINC
- ZINC000000899213
- PDBe Ligand
- 3RL
- Wikipedia
- Pterostilbene
- PDB Entries
- 4wns / 6jen / 7was / 8ie7 / 8w46
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Prevention Acute Kidney Injury (AKI) 1 2 Active Not Recruiting Treatment Endometrial Atypical Hyperplasia / Endometrial Carcinoma 1 2, 3 Completed Treatment Blood Pressures / Hyperlipidemias / Stress Oxidative 1 Not Available Completed Treatment Menopause 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 logP 3.69 Chemaxon pKa (Strongest Acidic) 9 Chemaxon pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 38.69 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 76.42 m3·mol-1 Chemaxon Polarizability 28.62 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 26, 2023 20:03 / Updated at June 27, 2023 01:10