1.0 2016-10-03 18:22:29 UTC 2020-04-22 15:45:49 UTC BMDB0011661 BMDB11661 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol 2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol 5-Demethoxyubiquinol DMQH2 C38H60O3 564.8812 564.454245786 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-methylcyclohexa-2,5-diene-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-methylcyclohexa-2,5-diene-1,4-diol COC1=CC(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1O InChI=1S/C38H60O3/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/h15,17,19,21,23,25,27,36,38-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ VFOCBGJJNKIBIS-NSUIJKAQSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Sesterterpenoids Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Sesterterpenoid Aliphatic homomonocyclic compounds Solid logp 7.59 ALOGPS logs -6.01 ALOGPS logp 9.24 ChemAxon pka_strongest_acidic 13.24 ChemAxon pka_strongest_basic -3.2 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-methylcyclohexa-2,5-diene-1,4-diol ChemAxon average_mass 564.8812 ChemAxon mono_mass 564.454245786 ChemAxon smiles COC1=CC(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1O ChemAxon formula C38H60O3 ChemAxon inchi InChI=1S/C38H60O3/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/h15,17,19,21,23,25,27,36,38-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ ChemAxon inchikey VFOCBGJJNKIBIS-NSUIJKAQSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 185.98 ChemAxon polarizability 72.38 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19447 Specdb::CMs 39750 Specdb::CMs 282105 Specdb::CMs 359009 Specdb::CMs 359010 Specdb::CMs 359011 Specdb::CMs 359012 Specdb::CMs 359013 Specdb::MsMs 178704 Specdb::MsMs 178705 Specdb::MsMs 178706 Specdb::MsMs 181023 Specdb::MsMs 181024 Specdb::MsMs 181025 Specdb::MsMs 2790818 Specdb::MsMs 2790819 Specdb::MsMs 2790820 Specdb::MsMs 2914376 Specdb::MsMs 2914377 Specdb::MsMs 2914378 35032083 FDB028352 53481017 CPD-9871 BMDBP00405 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial Q0P5A2 COQ5 Enzyme