2.0 2012-10-10 12:22:18 -0600 2015-09-17 16:24:58 -0600 ECMDB23212 M2MDB003602 2-methoxy-6-(all-trans-hexaprenyl)phenol 2-methoxy-6-(all-trans-hexaprenyl)phenol is involved in the ubiquinol-n biosynthesis pathway. It is a substrate for the 2-polyprenyl-6-methoxyphenol hydroxylase that catalyses the following reaction: 2-methoxy-6-(all-trans-hexaprenyl)phenol + NADPH + oxygen + H+ <=> 2-methoxy-6-all trans-hexaprenyl-2-methoxy-1,4-benzoquinol + NADP+ + H2O C32H46O2 462.7064 462.349780716 2-methoxy-6-(3-methylbut-2-en-1-yl)phenol 2-methoxy-6-(3-methylbut-2-en-1-yl)phenol COC1=CC=CC(C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)CC=C(C)C)=C1O InChI=1S/C32H46O2/c1-24(2)12-13-25(3)14-15-26(4)16-17-27(5)18-19-28(6)20-21-29(7)22-23-30-10-9-11-31(34-8)32(30)33/h9-12,14,16,18,20,22,33H,13,15,17,19,21,23H2,1-8H3/b25-14+,26-16+,27-18+,28-20+,29-22+ SYOXGUDIUGHRKM-BETNFHSFSA-N Membrane logp 3.27 ALOGPS logs -2.64 ALOGPS solubility 4.46e-01 g/l ALOGPS logp 3.24 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxy-6-(3-methylbut-2-en-1-yl)phenol ChemAxon average_mass 462.7064 ChemAxon mono_mass 462.349780716 ChemAxon smiles COC1=CC=CC(C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)C\C=C(/C)CC=C(C)C)=C1O ChemAxon formula C32H46O2 ChemAxon inchi InChI=1S/C32H46O2/c1-24(2)12-13-25(3)14-15-26(4)16-17-27(5)18-19-28(6)20-21-29(7)22-23-30-10-9-11-31(34-8)32(30)33/h9-12,14,16,18,20,22,33H,13,15,17,19,21,23H2,1-8H3/b25-14+,26-16+,27-18+,28-20+,29-22+ ChemAxon inchikey SYOXGUDIUGHRKM-BETNFHSFSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 58.74 ChemAxon polarizability 21.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1267405 Specdb::MsMs 1267406 Specdb::MsMs 1267407 Specdb::MsMs 1382443 Specdb::MsMs 1382444 Specdb::MsMs 1382445 62731