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CHEBI:27017 - desmethyl tocotrienol

ChEBI IDCHEBI:27017
ChEBI Namedesmethyl tocotrienol
Stars
DefinitionA tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2.
Last Modified29 May 2014
DownloadsMolfile
FormulaC26H38O2
Net Charge0
Average Mass382.588
Monoisotopic Mass382.28718
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)ccc2O1
InChIInChI=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
InChIKeyGJJVAFUKOBZPCB-HQLRYZJNSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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-olChEBI
Registry NumbersSources
Reaxys:8729806Reaxys
Citations