1.0 2016-10-03 18:35:40 UTC 2020-05-21 14:52:19 UTC BMDB0012299 BMDB12299 Ubiquinol-6 Dihydroubiquinone Reduced ubiquinone Ubiquinol Ubiquinol(30) C39H60O4 592.8913 592.449160408 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol ubiquinol-6 5677-58-7 COC1=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)C(O)=C1OC InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+ DYOSCPIQEYRQEO-LPHQIWJTSA-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 Dimethoxybenzenes Hydrocarbon derivatives Hydroquinones Meta cresols Methoxyphenols Ortho cresols Phenoxy compounds Polyprenyl quinols Sesterterpenoids Toluenes Ubiquinols 2-polyprenyl-6-methoxyphenol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Dimethoxybenzene Ether Hydrocarbon derivative Hydroquinone M-cresol Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cresol O-dimethoxybenzene Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Polyprenylbenzoquinol Prenylbenzoquinol Sesterterpenoid Toluene Ubiquinol skeleton Aromatic homomonocyclic compounds polyprenylhydroquinone ubiquinol Solid logp 8.49 ALOGPS logs -6.23 ALOGPS logp 11.59 ChemAxon pka_strongest_acidic 10.27 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol ChemAxon average_mass 592.8913 ChemAxon mono_mass 592.449160408 ChemAxon smiles COC1=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)C(O)=C1OC ChemAxon formula C39H60O4 ChemAxon inchi InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+ ChemAxon inchikey DYOSCPIQEYRQEO-LPHQIWJTSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 191.24 ChemAxon polarizability 75.45 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 4 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::MsMs 28298 Specdb::MsMs 28299 Specdb::MsMs 28300 Specdb::MsMs 34856 Specdb::MsMs 34857 Specdb::MsMs 34858 Specdb::MsMs 2395581 Specdb::MsMs 2395582 Specdb::MsMs 2395583 Specdb::MsMs 2539295 Specdb::MsMs 2539296 Specdb::MsMs 2539297 Specdb::CMs 25498 Specdb::CMs 39903 Specdb::CMs 282919 Specdb::CMs 424707 Specdb::CMs 424708 Specdb::CMs 424709 Specdb::CMs 424710 Specdb::CMs 424711 Specdb::NmrOneD 320471 Specdb::NmrOneD 320472 Specdb::NmrOneD 320473 Specdb::NmrOneD 320474 Specdb::NmrOneD 320475 Specdb::NmrOneD 320476 Specdb::NmrOneD 320477 Specdb::NmrOneD 320478 Specdb::NmrOneD 320479 Specdb::NmrOneD 320480 Specdb::NmrOneD 320481 Specdb::NmrOneD 320482 Specdb::NmrOneD 320483 Specdb::NmrOneD 320484 Specdb::NmrOneD 320485 Specdb::NmrOneD 320486 Specdb::NmrOneD 320487 Specdb::NmrOneD 320488 Specdb::NmrOneD 320489 Specdb::NmrOneD 320490 FDB028922 4710167 5813154 52970 BMDBP00097 NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial P42026 NDUFS7 Enzyme BMDBP00099 NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial P17694 NDUFS2 Enzyme BMDBP00262 NADH-ubiquinone oxidoreductase chain 5 C5IX89 ND5 Enzyme BMDBP00263 NADH-ubiquinone oxidoreductase chain 1 P03887 MT-ND1 Enzyme BMDBP00264 NADH-ubiquinone oxidoreductase chain 4 Q45LU7 ND4 Enzyme BMDBP00265 NADH-ubiquinone oxidoreductase chain 4 Q6JTG2 ND4 Enzyme BMDBP00266 NADH-ubiquinone oxidoreductase chain 5 C5IXE1 ND5 Enzyme BMDBP00267 NADH-ubiquinone oxidoreductase chain 2 B1NZU0 ND2 Enzyme BMDBP00268 NADH-ubiquinone oxidoreductase chain 5 Q45M50 ND5 Enzyme BMDBP00269 NADH-ubiquinone oxidoreductase chain 5 Q45MI0 ND5 Enzyme BMDBP00270 NADH-ubiquinone oxidoreductase chain 5 Q3L5H4 ND5 Enzyme BMDBP00271 NADH-ubiquinone oxidoreductase chain 5 Q45LG6 ND5 Enzyme BMDBP00272 NADH-ubiquinone oxidoreductase chain 5 B1NZ26 ND5 Enzyme BMDBP00273 NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial P04394 NDUFV2 Enzyme BMDBP00274 NADH-ubiquinone oxidoreductase chain 5 Q8HBP4 ND5 Enzyme BMDBP00275 NADH-ubiquinone oxidoreductase chain 5 B1P0B8 ND5 Enzyme BMDBP00276 NADH-ubiquinone oxidoreductase chain 1 B1P0I6 ND1 Enzyme BMDBP00277 NADH-ubiquinone oxidoreductase chain 2 Q6JTH0 ND2 Enzyme BMDBP00278 NADH-ubiquinone oxidoreductase chain 1 Q45MJ0 ND1 Enzyme BMDBP00280 NADH-ubiquinone oxidoreductase chain 5 Q7JAL5 ND5 Enzyme BMDBP00281 NADH-ubiquinone oxidoreductase chain 4 Q8HC63 ND4 Enzyme BMDBP00282 NADH-ubiquinone oxidoreductase chain 1 Q6QTH1 ND1 Enzyme BMDBP00283 NADH-ubiquinone oxidoreductase chain 1 Q45MC5 ND1 Enzyme BMDBP00284 NADH-ubiquinone oxidoreductase chain 6 Q7JAS5 ND6 Enzyme BMDBP00285 NADH-ubiquinone oxidoreductase chain 5 Q8HC24 ND5 Enzyme BMDBP00286 NADH-ubiquinone oxidoreductase chain 5 B1P0J6 ND5 Enzyme BMDBP00287 NADH-ubiquinone oxidoreductase chain 4L Q3L5T0 ND4L Enzyme BMDBP00288 NADH-ubiquinone oxidoreductase chain 4 C5IX88 ND4 Enzyme BMDBP00289 NADH-ubiquinone oxidoreductase chain 1 Q3L5J7 ND1 Enzyme BMDBP00290 NADH-ubiquinone oxidoreductase chain 6 Q85UJ0 ND6 Enzyme BMDBP00291 NADH-ubiquinone oxidoreductase chain 4 B1P078 ND4 Enzyme BMDBP00292 NADH-ubiquinone oxidoreductase chain 6 B1P0N6 ND6 Enzyme BMDBP00293 NADH-ubiquinone oxidoreductase chain 3 Q7JAS9 ND3 Enzyme BMDBP00294 NADH-ubiquinone oxidoreductase chain 5 B1P092 ND5 Enzyme BMDBP00295 NADH-ubiquinone oxidoreductase chain 4 Q45MX4 ND4 Enzyme BMDBP00296 NADH-ubiquinone oxidoreductase chain 6 P03924 MT-ND6 Enzyme BMDBP00297 Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial Q3T189 SDHB Enzyme BMDBP00298 NADH-ubiquinone oxidoreductase chain 5 B1P0N5 ND5 Enzyme BMDBP00299 NADH-ubiquinone oxidoreductase chain 4 Q6JTD6 ND4 Enzyme BMDBP00300 NADH-ubiquinone oxidoreductase chain 5 Q45LK5 ND5 Enzyme BMDBP00301 NADH-ubiquinone oxidoreductase chain 6 B1NZ92 ND6 Enzyme BMDBP00302 NADH dehydrogenase subunit 5 A4ZI01 ND5 Enzyme BMDBP00303 NADH-ubiquinone oxidoreductase chain 5 P03920 MT-ND5 Enzyme BMDBP00304 NADH-ubiquinone oxidoreductase chain 1 Q85E90 Enzyme BMDBP00305 NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial P15690 NDUFS1 Enzyme BMDBP00306 NADH-ubiquinone oxidoreductase chain 2 Q45M46 ND2 Enzyme BMDBP00307 NADH-ubiquinone oxidoreductase chain 4 C5IX62 ND4 Enzyme BMDBP00308 NADH-ubiquinone oxidoreductase chain 4 Q45MC9 ND4 Enzyme BMDBP00309 NADH-ubiquinone oxidoreductase chain 5 Q45LU6 ND5 Enzyme BMDBP00310 NADH-ubiquinone oxidoreductase chain 2 B1P044 ND2 Enzyme BMDBP00311 NADH-ubiquinone oxidoreductase chain 1 Q45LV6 ND1 Enzyme BMDBP00312 NADH-ubiquinone oxidoreductase chain 2 B1P0M6 ND2 Enzyme BMDBP00313 NADH-ubiquinone oxidoreductase chain 5 B1P0M2 ND5 Enzyme BMDBP00314 NADH-ubiquinone oxidoreductase chain 2 Q6QTH0 ND2 Enzyme BMDBP00315 NADH-ubiquinone oxidoreductase chain 5 Q85BD6 ND5 Enzyme BMDBP00316 NADH-ubiquinone oxidoreductase chain 5 Q6JTD5 ND5 Enzyme BMDBP00317 NADH-ubiquinone oxidoreductase chain 4L Q7JAS8 ND4L Enzyme BMDBP00318 NADH-ubiquinone oxidoreductase chain 5 C5IX37 ND5 Enzyme BMDBP00319 NADH-ubiquinone oxidoreductase chain 4 P03910 MT-ND4 Enzyme BMDBP00320 NADH-ubiquinone oxidoreductase chain 2 Q45M85 ND2 Enzyme BMDBP00321 NADH-ubiquinone oxidoreductase chain 5 B1P027 ND5 Enzyme BMDBP00322 NADH dehydrogenase subunit 5 Q8HAW7 ND5 Enzyme BMDBP00323 NADH-ubiquinone oxidoreductase chain 2 Q6JTE4 ND2 Enzyme BMDBP00324 NADH-ubiquinone oxidoreductase chain 3 Q45LU9 ND3 Enzyme BMDBP00325 NADH-ubiquinone oxidoreductase chain 5 Q45MC8 ND5 Enzyme BMDBP00326 NADH-ubiquinone oxidoreductase chain 4L P03902 MT-ND4L Enzyme BMDBP00327 NADH-ubiquinone oxidoreductase chain 5 Q45LV9 ND5 Enzyme BMDBP00328 NADH-ubiquinone oxidoreductase chain 5 Q85BS9 ND5 Enzyme BMDBP00329 NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial P23709 NDUFS3 Enzyme BMDBP00330 NADH-ubiquinone oxidoreductase chain 2 Q7JAT5 ND2 Enzyme BMDBP00331 NADH-ubiquinone oxidoreductase chain 4 B1NZ38 ND4 Enzyme BMDBP00332 NADH-ubiquinone oxidoreductase chain 5 Q45MW0 ND5 Enzyme BMDBP00333 NADH-ubiquinone oxidoreductase chain 2 Q8HQD4 ND2 Enzyme BMDBP00334 NADH-ubiquinone oxidoreductase chain 4 Q7JAS7 ND4 Enzyme BMDBP00335 NADH-ubiquinone oxidoreductase chain 5 Q45MP5 ND5 Enzyme BMDBP00336 NADH-ubiquinone oxidoreductase chain 3 P03898 MT-ND3 Enzyme BMDBP00337 NADH-ubiquinone oxidoreductase chain 2 P03892 MT-ND2 Enzyme BMDBP00338 NADH-ubiquinone oxidoreductase chain 2 Q8HBM0 ND2 Enzyme BMDBP00339 Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial P31039 SDHA Enzyme BMDBP00340 NADH-ubiquinone oxidoreductase chain 3 B1P0L9 ND3 Enzyme BMDBP00341 NADH-ubiquinone oxidoreductase chain 1 Q7JAT6 ND1 Enzyme BMDBP00342 NADH-ubiquinone oxidoreductase chain 5 Q45MA2 ND5 Enzyme BMDBP00343 NADH-ubiquinone oxidoreductase chain 5 B1NZY8 ND5 Enzyme BMDBP00344 Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial Q2KIG0 ETFDH Enzyme BMDBP00345 NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial P42028 NDUFS8 Enzyme BMDBP00346 NADH-ubiquinone oxidoreductase chain 2 Q45MY2 ND2 Enzyme BMDBP00347 NADH-ubiquinone oxidoreductase chain 5 C5IXC8 ND5 Enzyme BMDBP00348 NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial P25708 NDUFV1 Enzyme BMDBP00349 NADH-ubiquinone oxidoreductase chain 5 B1NZB7 ND5 Enzyme BMDBP00350 NADH-ubiquinone oxidoreductase chain 6 Q85UI9 ND6 Enzyme BMDBP00351 NADH-ubiquinone oxidoreductase chain 3 Q6QTG4 ND3 Enzyme BMDBP00352 NADH-ubiquinone oxidoreductase chain 4 Q45LS1 ND4 Enzyme