1.0 2010-04-08 22:05:10 UTC 2019-11-26 02:56:46 UTC FDB001933 Plastoquinone 8 Isolated from the leaves of Zea mays (sweet corn). Plastoquinone 8 is found in cereals and cereal products and fats and oils. 3-[(2E)-2-hexenyl]-2,5-dimethylbenzo-1,4-quinone C48H72O2 681.0841 680.553231548 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione 28974-95-0 CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O InChI=1S/C48H72O2/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-46-35-47(49)44(10)45(11)48(46)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23-,39-25+,40-27+,41-29+,42-31+,43-33+ XNCZYLCBNZVJPV-HADDTEFYSA-N belongs to the class of organic compounds known as polyprenylbenzoquinones. Polyprenylbenzoquinones are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Polyprenylbenzoquinones Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides P-benzoquinones Tetraterpenoids Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Polyprenylbenzoquinone Quinone Tetraterpenoid logp 9.55 ALOGPS logs -6.40 ALOGPS solubility 2.70e-04 g/l ALOGPS logp 15.04 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 681.0841 ChemAxon mono_mass 680.553231548 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O ChemAxon formula C48H72O2 ChemAxon inchi InChI=1S/C48H72O2/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-46-35-47(49)44(10)45(11)48(46)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23-,39-25+,40-27+,41-29+,42-31+,43-33+ ChemAxon inchikey XNCZYLCBNZVJPV-HADDTEFYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 229.92 ChemAxon polarizability 87.69 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25489 Specdb::MsMs 88572 Specdb::MsMs 88573 Specdb::MsMs 88574 Specdb::MsMs 151326 Specdb::MsMs 151327 Specdb::MsMs 151328 Specdb::MsMs 2725520 Specdb::MsMs 2725521 Specdb::MsMs 2725522 Specdb::MsMs 2956251 Specdb::MsMs 2956252 Specdb::MsMs 2956253 HMDB30129 #<Reference:0x000055ce32b160d8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic