2.0 2012-10-22 13:35:01 -0600 2015-06-03 17:26:44 -0600 ECMDB23435 M2MDB003825 3-(all-trans-triprenyl)benzene-1,2-diol 3-(all-trans-triprenyl)benzene-1,2-diol is involved in the ubiquinone biosynthetic pathway. It is a substrate for the 3-demethylubiquinone-9 3-methyltransferase that catalyses the following reaction: S-adenosyl-L-methionine + 3-(all-trans-triprenyl)benzene-1,2-diol = S-adenosyl-L-homocysteine + 2-methoxy-6-(all-trans-triprenyl)phenol. C19H26O2 286.4085 286.193280076 3-[(2E,5E)-3,6,9-trimethyldeca-2,5,8-trien-1-yl]benzene-1,2-diol 3-[(2E,5E)-3,6,9-trimethyldeca-2,5,8-trien-1-yl]benzene-1,2-diol CC(C)=CC\C(C)=C\C\C(C)=C\CC1=C(O)C(O)=CC=C1 InChI=1S/C19H26O2/c1-14(2)8-9-15(3)10-11-16(4)12-13-17-6-5-7-18(20)19(17)21/h5-8,10,12,20-21H,9,11,13H2,1-4H3/b15-10+,16-12+ VNKKQNZCBITKGE-NCZFFCEISA-N Membrane logp 5.79 ALOGPS logs -4.47 ALOGPS solubility 9.65e-03 g/l ALOGPS logp 5.52 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-[(2E,5E)-3,6,9-trimethyldeca-2,5,8-trien-1-yl]benzene-1,2-diol ChemAxon average_mass 286.4085 ChemAxon mono_mass 286.193280076 ChemAxon smiles CC(C)=CC\C(C)=C\C\C(C)=C\CC1=C(O)C(O)=CC=C1 ChemAxon formula C19H26O2 ChemAxon inchi InChI=1S/C19H26O2/c1-14(2)8-9-15(3)10-11-16(4)12-13-17-6-5-7-18(20)19(17)21/h5-8,10,12,20-21H,9,11,13H2,1-4H3/b15-10+,16-12+ ChemAxon inchikey VNKKQNZCBITKGE-NCZFFCEISA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 92.67 ChemAxon polarizability 34.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088060 Specdb::MsMs 23615 Specdb::MsMs 23616 Specdb::MsMs 23617 Specdb::MsMs 24251 Specdb::MsMs 24252 Specdb::MsMs 24253 Specdb::MsMs 30413 Specdb::MsMs 30414 Specdb::MsMs 30415