1.0 2016-09-30 23:25:06 UTC 2020-04-22 15:18:19 UTC BMDB0006710 BMDB06710 Ubiquinone Q4 2,3-Dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-2,5-cyclohexadiene-1,4-dione 2,3-Dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-P-benzoquinone 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2,5-cyclohexadiene-1,4-dione Coenzyme Q4 CoQ4 Ubiquinone 4 Ubiquinone Q4 C29H42O4 454.6414 454.308309832 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione ubiquinone 4 4370-62-1 COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+ XGCJRRDNIMSYNC-INVBOZNNSA-N belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Ubiquinones Diterpenoids Hydrocarbon derivatives Organic oxides P-benzoquinones Vinylogous esters Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone Quinone Ubiquinone skeleton Vinylogous ester Aliphatic homomonocyclic compounds Ubiquinones Solid logp 6.53 ALOGPS logs -5.71 ALOGPS logp 7.2 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 454.6414 ChemAxon mono_mass 454.308309832 ChemAxon smiles COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O ChemAxon formula C29H42O4 ChemAxon inchi InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+ ChemAxon inchikey XGCJRRDNIMSYNC-INVBOZNNSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 143.79 ChemAxon polarizability 55.21 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2265 Specdb::CMs 2268 Specdb::CMs 21549 Specdb::CMs 31541 Specdb::CMs 31542 Specdb::CMs 134715 Specdb::CMs 142449 Specdb::MsMs 28289 Specdb::MsMs 28290 Specdb::MsMs 28291 Specdb::MsMs 34847 Specdb::MsMs 34848 Specdb::MsMs 34849 Specdb::MsMs 2772383 Specdb::MsMs 2772384 Specdb::MsMs 2772385 Specdb::MsMs 2909085 Specdb::MsMs 2909086 Specdb::MsMs 2909087 5283545 FDB018340 4446658 529178