1.0 2016-10-03 18:33:08 UTC 2020-04-22 15:48:42 UTC BMDB0012146 BMDB12146 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol Demethyl-ubiquinol-6 C38H58O4 578.8647 578.433510344 5-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-3-methoxy-6-methylbenzene-1,2,4-triol 5-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-3-methoxy-6-methylbenzene-1,2,4-triol COC1=C(O)C(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/C38H58O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,39-41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17-,29-19+,30-21+,31-23+,32-25- ZQXNZNKHQXLVCV-QXVHJBQVSA-N belongs to the class of organic compounds known as 2-polyprenyl-6-methoxyphenols. 2-polyprenyl-6-methoxyphenols are compounds containing a polyisoprene chain attached at the 2-position of a 6-methoxyphenol group. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols 2-polyprenyl-6-methoxyphenols Alkyl aryl ethers Anisoles Hydrocarbon derivatives Hydroxyquinols and derivatives Meta cresols Methoxybenzenes Methoxyphenols Ortho cresols Phenoxy compounds Polyols Polyprenyl quinols Sesterterpenoids Toluenes Ubiquinols 2-polyprenyl-6-methoxyphenol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Ether Hydrocarbon derivative Hydroxyquinol derivative M-cresol Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cresol Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Polyol Polyprenylbenzoquinol Prenylbenzoquinol Sesterterpenoid Toluene Ubiquinol skeleton Aromatic homomonocyclic compounds Solid logp 8.32 ALOGPS logs -5.95 ALOGPS logp 11.45 ChemAxon pka_strongest_acidic 9.96 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-3-methoxy-6-methylbenzene-1,2,4-triol ChemAxon average_mass 578.8647 ChemAxon mono_mass 578.433510344 ChemAxon smiles COC1=C(O)C(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 C38H58O4 ChemAxon inchi InChI=1S/C38H58O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,39-41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17-,29-19+,30-21+,31-23+,32-25- ChemAxon inchikey ZQXNZNKHQXLVCV-QXVHJBQVSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 186.76 ChemAxon polarizability 72.49 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 17097 Specdb::CMs 39830 Specdb::CMs 282518 Specdb::CMs 390151 Specdb::CMs 390152 Specdb::CMs 390153 Specdb::CMs 390154 Specdb::CMs 390155 Specdb::CMs 390156 Specdb::CMs 390157 Specdb::CMs 390158 Specdb::CMs 390159 Specdb::CMs 390160 Specdb::CMs 390161 Specdb::CMs 390162 Specdb::MsMs 303850 Specdb::MsMs 303851 Specdb::MsMs 303852 Specdb::MsMs 346888 Specdb::MsMs 346889 Specdb::MsMs 346890 Specdb::MsMs 2387621 Specdb::MsMs 2387622 Specdb::MsMs 2387623 Specdb::MsMs 2578284 Specdb::MsMs 2578285 Specdb::MsMs 2578286 30776599 FDB028803 53481381 2-HEXAPRENYL-3-METHYL-5-HYDROXY-6-METHOX