1.0 2011-09-21 00:39:53 UTC 2015-07-21 06:58:00 UTC FDB024099 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone is involved in the ubiquinone biosynthesis pathway. 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone is created from 2-Hexaprenyl-6-methoxy-1,4-benzoquinone by ubiquinone biosynthesis methyltransferase [EC:2.1.1.-]. 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone is then converted to 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone by ubiquinone biosynthesis monooxygenase Coq7 [EC:1.14.13.-]. [HMDB] 2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C38H56O3 560.8494 560.422945658 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ RLVSEUWSBSQQOE-NSUIJKAQSA-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 Sesterterpenoids Vinylogous esters Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Polyprenylbenzoquinone Quinone Sesterterpenoid Vinylogous ester polyprenylbenzoquinone Solid logp 8.47 ALOGPS logs -6.18 ALOGPS solubility 3.74e-04 g/l ALOGPS logp 10.92 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 560.8494 ChemAxon mono_mass 560.422945658 ChemAxon smiles COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O ChemAxon formula C38H56O3 ChemAxon inchi InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ ChemAxon inchikey RLVSEUWSBSQQOE-NSUIJKAQSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 184.68 ChemAxon polarizability 70.85 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Ubiquinone Biosynthesis SMP00065 map00130 Specdb::CMs 9409 Specdb::MsMs 178245 Specdb::MsMs 178246 Specdb::MsMs 178247 Specdb::MsMs 180561 Specdb::MsMs 180562 Specdb::MsMs 180563 Specdb::MsMs 2796401 Specdb::MsMs 2796402 Specdb::MsMs 2796403 Specdb::MsMs 2886170 Specdb::MsMs 2886171 Specdb::MsMs 2886172 HMDB06819 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823