1.0 2010-04-08 22:10:22 UTC 2025-11-18 23:39:38 UTC FDB012799 alpha-Tocopherolquinone Isolated 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-Tocopherolquinone a-Tocopheryl quinone a-Tocoquinone alpha-Tocopherol quinone alpha-Tocopherolquinone alpha-Tocopheroquinone alpha-Tocopheryl quinone D 178 Eutrophyl Ipotensil Metorena Tensiopress Trimina Vitapressina C29H50O3 446.7055 446.375995466 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione 7559-04-8 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O InChI=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,9-19H2,1-8H3 LTVDFSLWFKLJDQ-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides P-benzoquinones Prenylquinones Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Prenylbenzoquinone Quinone Tertiary alcohol logp 7.09 ALOGPS logs -6.03 ALOGPS solubility 4.14e-04 g/l ALOGPS logp 9.03 ChemAxon pka_strongest_acidic 19.44 ChemAxon pka_strongest_basic -0.86 ChemAxon iupac 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 446.7055 ChemAxon mono_mass 446.375995466 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O ChemAxon formula C29H50O3 ChemAxon inchi InChI=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,9-19H2,1-8H3 ChemAxon inchikey LTVDFSLWFKLJDQ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 137.43 ChemAxon polarizability 57.22 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56457 Specdb::MsMs 56458 Specdb::MsMs 56459 Specdb::MsMs 111873 Specdb::MsMs 111874 Specdb::MsMs 111875 Specdb::MsMs 2338668 Specdb::MsMs 2338669 Specdb::MsMs 2338670 Specdb::MsMs 2623706 Specdb::MsMs 2623707 Specdb::MsMs 2623708 Specdb::CMs 20215 Specdb::CMs 43861 Specdb::CMs 129730 Specdb::CMs 136656 Specdb::CMs 144390 Specdb::CMs 933896 HMDB34408 #<Reference:0x000055ce320d0d30> Anise Type 1 specific Pimpinella anisum 271192 Barley Type 1 specific Hordeum vulgare 4513 Brassicas Unknown generic 3705 Spinach Type 1 specific Spinacia oleracea 3562