Description
β-Tocotrienol is isolated from the stem bark of Garcinia virgata. It inhibits the growth of both A549 (GI50=1.38±0.334μM) and U87MG (GI50=2.53±0.604μM) cells at rather low concentrations. β-Tocotrienol can serve as a new anticancer agent for treating human lung and brain cancers.
Synonyms
(2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol; 2,5,8-Trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-6-chromanol; D-β-Tocotrienol; ε-Tocopherol; ε-Tokoferol
IUPAC Name
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Molecular Formula
C28H42O2
Canonical SMILES
CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)O
InChI
InChI=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
InChIKey
FGYKUFVNYVMTAM-WAZJVIJMSA-N
Boiling Point
528.8±49.0 °C(Predicted)
Density
0.964±0.06 g/cm3(Predicted)
Definition
ChEBI: A 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.
pKa
11.05±0.40(Predicted)
Uses
β-Tocotrienol is an isomer of Vitamin E. β-Tocotrienol is one of the naturally occurring forms of vitamin E. β-Tocotrienol was isolated from wheat germ oil and from bran.