This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tocotrienol
- DrugBank Accession Number
- DB12647
- Background
Tocotrienol has been investigated for the treatment of Cholesterol Lowering.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tocotrienol (DB12647)
- Weight
- Average: 382.5787
Monoisotopic: 382.28718046 - Chemical Formula
- C26H38O2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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 softwareOrlistat Orlistat can cause a decrease in the absorption of Tocotrienol resulting in a reduced serum concentration and potentially a decrease in efficacy. 
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- Not Available
Products
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Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Diterpenoids
- Direct Parent
- Diterpenoids
- Alternative Parents
- 1-benzopyrans / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Oxacyclic compounds / Hydrocarbon derivatives
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Chromane / Diterpenoid / Ether / Hydrocarbon derivative
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0867I0N41V
- CAS number
- 6829-55-6
- InChI Key
- GJJVAFUKOBZPCB-ZGRPYONQSA-N
- InChI
- InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
- IUPAC Name
- 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
- SMILES
- CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0036368
- PubChem Compound
- 9929901
- PubChem Substance
- 347828854
- ChemSpider
- 8105532
- 578285
- ChEMBL
- CHEMBL120643
- Wikipedia
- Tocotrienol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Prevention High Cholesterol 1 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Ovarian Cancer 1 2 Recruiting Other End-stage Liver Disease (ESLD) / Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non Alcoholic Steatohepatitis (NASH) 1 2, 3 Withdrawn Treatment Cholesterol Lowering 1 1 Completed Prevention Pancreatic Cancer 2 1 Completed Treatment Pancreatic Neoplasms 1 1, 2 Recruiting Prevention Obesity / Postmenopausal 1 1, 2 Withdrawn Prevention Dynapenia / Postmenopausal 1 Not Available Unknown Status Treatment Diabetic Macular Edema (DME) / Neovascular Age-Related Macular Degeneration (nAMD) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral 50 mg Capsule Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000793 mg/mL ALOGPS logP 7.68 ALOGPS logP 7.75 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 10.01 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 122.8 m3·mol-1 Chemaxon Polarizability 48.17 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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 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 20, 2016 23:25 / Updated at June 12, 2020 16:53