2.0 2012-10-10 12:18:42 -0600 2015-09-17 16:24:57 -0600 ECMDB23143 M2MDB003533 6-Methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol 6-Methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol is involved in the ubiquinol-8 biosynthesis pathway. It is a substrate of 2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone hydroxylase that catalyses the following reaction: 6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol + a reduced electron acceptor + oxygen => 3-demethylubiquinol-8 + an oxidized electron acceptor + H2O 2-hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol 3-(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl-5-methoxy-2-methyl-1,4-benzenediol 3-(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl-5-methoxy-2-methylbenzene-1,4-diol 3-hexaprenyl-2-methyl-5-methoxy-1,4-benzoquinol 5-methoxy-2-methyl-3-hexaprenylhydroquinone 5-methoxy-2-methyl-3-hexaprenylquinol 6-methoxy-3-methyl-2-all-trans-polyprenyl-1,4-benzoquinol 6-methoxy-3-methyl-2-hexaprenylhydroquinone 6-methoxy-3-methyl-2-hexaprenylquinol C38H58O3 562.8653 562.438595722 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-methylbenzene-1,4-diol 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-methylbenzene-1,4-diol COC1=CC(O)=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O InChI=1S/C38H58O3/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/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3 ATQQULXELMEJIX-UHFFFAOYSA-N Membrane logp 8.69 ALOGPS logs -6.21 ALOGPS solubility 3.44e-04 g/l ALOGPS logp 11.75 ChemAxon pka_strongest_acidic 9.98 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-methylbenzene-1,4-diol ChemAxon average_mass 562.8653 ChemAxon mono_mass 562.438595722 ChemAxon smiles COC1=CC(O)=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O ChemAxon formula C38H58O3 ChemAxon inchi InChI=1S/C38H58O3/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/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3 ChemAxon inchikey ATQQULXELMEJIX-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 184.78 ChemAxon polarizability 71.48 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1276150 Specdb::MsMs 1276151 Specdb::MsMs 1276152 Specdb::MsMs 1391089 Specdb::MsMs 1391090 Specdb::MsMs 1391091 Specdb::MsMs 3608281 Specdb::MsMs 3608282 Specdb::MsMs 3608283 Specdb::MsMs 3608284 Specdb::MsMs 3608285 Specdb::MsMs 3608286 C19859 61473