EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:33275 - β-tocotrienol

Default Structure
ChEBI IDCHEBI:33275
ChEBI Nameβ-tocotrienol
Stars
ASCII Namebeta-tocotrienol
DefinitionA tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat.
Secondary ChEBI IDCHEBI:35070
Last Modified4 August 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
InChIInChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
InChIKeyFGYKUFVNYVMTAM-WAZJVIJMSA-N
Wikipedia
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antiglaucoma drug  Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye.
vulnerary  A drug used in treating and healing of wounds.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
antiparkinson drug  A drug used in the treatment of Parkinson's disease.
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
antipsoriatic  A drug used to treat psoriasis.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
hypoglycemic agent  A drug which lowers the blood glucose level.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antifibrotic agent  Any agent which acts to reduce fibrosis.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
antidote  Any protective agent counteracting or neutralizing the action of poisons.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
β-tocotrienol (CHEBI:33275) has role antineoplastic agent (CHEBI:35610)
β-tocotrienol (CHEBI:33275) has role apoptosis inducer (CHEBI:68495)
β-tocotrienol (CHEBI:33275) has role plant metabolite (CHEBI:76924)
β-tocotrienol (CHEBI:33275) is a tocotrienol (CHEBI:33235)
β-tocotrienol (CHEBI:33275) is a vitamin E (CHEBI:33234)
IUPAC Name 
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms  Source
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-olIUPAC
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-olChemIDplus
beta-tocotrienolKEGG COMPOUND
β-tocotrienolChemIDplus
ε-tocopherolChemIDplus
UniProt Name  Source
β-tocotrienolUniProt
Manual XrefsDatabases
4445513ChemSpider
Beta-TocotrienolWikipedia
C00035060KNApSAcK
C14154KEGG COMPOUND
CN101842488Patent
CPD-15837MetaCyc
EP1948808Patent
EP2198029Patent
FDB002433FooDB
HMDB0030554HMDB
LMPR02020055LIPID MAPS
MX2010003631Patent
US2007021497Patent
US2011113503Patent
Registry NumbersSources
Reaxys:43513Reaxys
CAS:490-23-3ChemIDplus
CAS:490-23-3KEGG COMPOUND
Citations