2.0 2012-10-10 12:18:44 -0600 2015-09-17 16:24:57 -0600 ECMDB23144 M2MDB003534 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol is involved in the ubiquinone biosynthesis pathway. It is a substrate of 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase. 2-(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl-6-methoxy-1,4-benzenediol 2-(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl-6-methoxybenzene-1,4-diol 2-hexaprenyl-6-methoxy-1,4-benzoquinol 2-methoxy-6-all-trans-polyprenyl-1,4-benzoquinol 3-hexaprenyl-5-methoxy-1,4-benzoquinol 5-methoxy-3-hexaprenylhydroquinone 5-methoxy-3-hexaprenylquinol 6-methoxy-2-hexaprenylhydroquinone 6-methoxy-2-hexaprenylquinol C37H56O3 548.8387 548.422945658 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxybenzene-1,4-diol 5-methoxy-3-hexaprenylquinol COC1=CC(O)=CC(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O InChI=1S/C37H56O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27,38-39H,9-13,15,17,19,21,23,25H2,1-8H3 ZAGWHOPYPMUKOK-UHFFFAOYSA-N Membrane logp 8.74 ALOGPS logs -6.13 ALOGPS solubility 4.11e-04 g/l ALOGPS logp 11.24 ChemAxon pka_strongest_acidic 9.73 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxybenzene-1,4-diol ChemAxon average_mass 548.8387 ChemAxon mono_mass 548.422945658 ChemAxon smiles COC1=CC(O)=CC(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O ChemAxon formula C37H56O3 ChemAxon inchi InChI=1S/C37H56O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27,38-39H,9-13,15,17,19,21,23,25H2,1-8H3 ChemAxon inchikey ZAGWHOPYPMUKOK-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 179.74 ChemAxon polarizability 69.41 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1225309 Specdb::MsMs 1225310 Specdb::MsMs 1225311 Specdb::MsMs 1340917 Specdb::MsMs 1340918 Specdb::MsMs 1340919 Specdb::MsMs 3607930 Specdb::MsMs 3607931 Specdb::MsMs 3607932 Specdb::MsMs 3607933 Specdb::MsMs 3607934 Specdb::MsMs 3607935 C19858 61472