1.0 2011-09-21 01:50:29 UTC 2015-07-21 06:59:38 UTC FDB029126 13'-Hydroxy-alpha-tocotrienol 13'-hydroxy-a-tocotrienol is the precursor of dehydrogenation to 13'-carboxy-alpha-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1% of all research into vitamin E [HMDB] 13OHaTE C29H44O3 440.6579 440.329045274 (2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-6-ol C\C(CO)=C\CC\C(C)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1 OQCXIVSCFNNFEE-QFLITSPGSA-N belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocopherols that contain a saturated trimethyltridecyl chain. Tocotrienols Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Diterpenoids Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Primary alcohols 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Diterpenoid Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Tocotrienol Solid logp 6.85 ALOGPS logs -6.01 ALOGPS solubility 4.29e-04 g/l ALOGPS logp 8.01 ChemAxon pka_strongest_acidic 10.8 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac (2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol ChemAxon average_mass 440.6579 ChemAxon mono_mass 440.329045274 ChemAxon smiles C\C(CO)=C\CC\C(C)=C\CC\C(C)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C ChemAxon formula C29H44O3 ChemAxon inchi InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1 ChemAxon inchikey OQCXIVSCFNNFEE-QFLITSPGSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 139.7 ChemAxon polarizability 55.01 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25383 Specdb::CMs 39959 Specdb::CMs 131197 Specdb::CMs 138931 Specdb::MsMs 322204 Specdb::MsMs 322205 Specdb::MsMs 322206 Specdb::MsMs 370057 Specdb::MsMs 370058 Specdb::MsMs 370059 Specdb::MsMs 2684292 Specdb::MsMs 2684293 Specdb::MsMs 2684294 Specdb::MsMs 3024090 Specdb::MsMs 3024091 Specdb::MsMs 3024092 HMDB12560