CHEBI:27017 - desmethyl tocotrienol

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ChEBI Name desmethyl tocotrienol
ChEBI ID CHEBI:27017
Definition A tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H38O2
Net Charge 0
Average Mass 382.57872
Monoisotopic Mass 382.28718
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+/t26-/m1/s1
InChIKey GJJVAFUKOBZPCB-HQLRYZJNSA-N
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)ccc2O1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via tocol )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing desmethyl tocotrienol (CHEBI:27017) has role plant metabolite (CHEBI:76924)
desmethyl tocotrienol (CHEBI:27017) is a tocotrienol (CHEBI:33235)
IUPAC Name
(2R)-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonym Source
3,4-dihydro-2-methyl-2-(4,8,12-trimethyltrideca-3'(E),7'(E),11'-trienyl)-2H-1-benzopyran-6-ol ChEBI
Registry Numbers Types Sources
8729806 Reaxys Registry Number Reaxys
8729806 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
10956081 PubMed citation Europe PMC
Last Modified
29 May 2014
General Comment
2005-11-22 See: Qureshi, A.A., Mo, H., Packer, L. and Peterson, D.M. (2000) Isolation and identification of novel tocotrienols from rice bran with hypocholesterolemic, antioxidant, and antitumor properties. J. Agric. Food Chem. 48, 3130-3140. [PMID:10956081]