1.02010-04-08 22:10:22 UTC2019-11-26 03:07:37 UTCFDB012799alpha-TocopherolquinoneIsolated from spinach (Spinacia oleracea) chloroplasts and many other plant sources. alpha-Tocopherolquinone is found in many foods, some of which are brassicas, spinach, barley, and anise.a-Tocopherolquinonea-Tocopheryl quinonea-Tocoquinonealpha-Tocopherol quinonealpha-Tocopherolquinonealpha-Tocopheroquinonealpha-Tocopheryl quinoneD 178EutrophylIpotensilMetorenaTensiopressTriminaVitapressinaC29H50O3446.7055446.3759954662-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione7559-04-8CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=OInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3LTVDFSLWFKLJDQ-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.DiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsDiterpenoidsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesP-benzoquinonesPrenylquinonesTertiary alcoholsAlcoholAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneDiterpenoidHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-benzoquinonePrenylbenzoquinoneQuinoneTertiary alcohollogp7.09logs-6.03solubility4.14e-04 g/llogp9.03pka_strongest_acidic19.44pka_strongest_basic-0.86iupac2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dioneaverage_mass446.7055mono_mass446.375995466smilesCC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=OformulaC29H50O3inchiInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3inchikeyLTVDFSLWFKLJDQ-UHFFFAOYSA-Npolar_surface_area54.37refractivity137.43polarizability57.22rotatable_bond_count15acceptor_count3donor_count1physiological_charge0formal_charge0Specdb::CMs20215Specdb::CMs43861Specdb::CMs129730Specdb::CMs136656Specdb::CMs144390Specdb::CMs933896Specdb::MsMs56457Specdb::MsMs56458Specdb::MsMs56459Specdb::MsMs111873Specdb::MsMs111874Specdb::MsMs111875Specdb::MsMs2338668Specdb::MsMs2338669Specdb::MsMs2338670Specdb::MsMs2623706Specdb::MsMs2623707Specdb::MsMs2623708HMDB34408#<Reference:0x00005556756eb010>AniseType 1specificPimpinella anisum271192BarleyType 1specificHordeum vulgare4513BrassicasUnknowngeneric3705SpinachType 1specificSpinacia oleracea3562