2.0 2012-10-22 13:35:01 -0600 2015-06-03 17:26:44 -0600 ECMDB23434 M2MDB003824 3-(all-trans-tetraprenyl)benzene-1,2-diol 3-(all-trans-tetraprenyl)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-tetraprenyl)benzene-1,2-diol = S-adenosyl-L-homocysteine + 2-methoxy-6-(all-trans-tetraprenyl)phenol. C23H32O2 340.499 340.240230268 3-[(2E,5E,8E)-3,6,9,12-tetramethyltrideca-2,5,8,11-tetraen-1-yl]benzene-1,2-diol 3-[(2E,5E,8E)-3,6,9,12-tetramethyltrideca-2,5,8,11-tetraen-1-yl]benzene-1,2-diol CC(C)=CC\C(C)=C\C\C(C)=C\C\C(C)=C\CC1=C(O)C(O)=CC=C1 InChI=1S/C23H32O2/c1-17(2)9-10-18(3)11-12-19(4)13-14-20(5)15-16-21-7-6-8-22(24)23(21)25/h6-9,11,13,15,24-25H,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+ FQASEYLIIUVQGW-QIRCYJPOSA-N Membrane logp 6.56 ALOGPS logs -5.04 ALOGPS solubility 3.10e-03 g/l ALOGPS logp 6.74 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-[(2E,5E,8E)-3,6,9,12-tetramethyltrideca-2,5,8,11-tetraen-1-yl]benzene-1,2-diol ChemAxon average_mass 340.499 ChemAxon mono_mass 340.240230268 ChemAxon smiles CC(C)=CC\C(C)=C\C\C(C)=C\C\C(C)=C\CC1=C(O)C(O)=CC=C1 ChemAxon formula C23H32O2 ChemAxon inchi InChI=1S/C23H32O2/c1-17(2)9-10-18(3)11-12-19(4)13-14-20(5)15-16-21-7-6-8-22(24)23(21)25/h6-9,11,13,15,24-25H,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+ ChemAxon inchikey FQASEYLIIUVQGW-QIRCYJPOSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 111.87 ChemAxon polarizability 41.48 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1089757 Specdb::EiMs 4221 Specdb::NmrOneD 251688 Specdb::NmrOneD 251689 Specdb::NmrOneD 251690 Specdb::NmrOneD 251691 Specdb::NmrOneD 251692 Specdb::NmrOneD 251693 Specdb::NmrOneD 251694 Specdb::NmrOneD 251695 Specdb::NmrOneD 251696 Specdb::NmrOneD 251697 Specdb::NmrOneD 251698 Specdb::NmrOneD 251699 Specdb::NmrOneD 251700 Specdb::NmrOneD 251701 Specdb::NmrOneD 251702 Specdb::NmrOneD 251703 Specdb::NmrOneD 251704 Specdb::NmrOneD 251705 Specdb::NmrOneD 251706 Specdb::NmrOneD 251707 Specdb::MsMs 25136 Specdb::MsMs 25137 Specdb::MsMs 25138 Specdb::MsMs 31694 Specdb::MsMs 31695 Specdb::MsMs 31696