1.0 2016-09-30 23:26:24 UTC 2020-04-22 15:18:43 UTC BMDB0006820 BMDB06820 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone exists in all eukaryotes, ranging from yeast to humans. In cattle, 2-hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone is involved in the metabolic pathway called ubiquinone biosynthesis pathway. C38H56O4 576.8488 576.41786028 4-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-3,5-diene-1,2-dione 4-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-3,5-diene-1,2-dione COC1=C(O)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(C)C(=O)C1=O InChI=1S/C38H56O4/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/h15,17,19,21,23,25,40H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+ IALHZQNPELKEGE-HGJBZHBGSA-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 O-benzoquinones Organic oxides Vinylogous acids Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone O-benzoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Sesterterpenoid Vinylogous acid Aliphatic homomonocyclic compounds Solid logp 8.39 ALOGPS logs -6.22 ALOGPS logp 10.4 ChemAxon pka_strongest_acidic 7.21 ChemAxon pka_strongest_basic -5 ChemAxon iupac 4-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-3,5-diene-1,2-dione ChemAxon average_mass 576.8488 ChemAxon mono_mass 576.41786028 ChemAxon smiles COC1=C(O)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(C)C(=O)C1=O ChemAxon formula C38H56O4 ChemAxon inchi InChI=1S/C38H56O4/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/h15,17,19,21,23,25,40H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+ ChemAxon inchikey IALHZQNPELKEGE-HGJBZHBGSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 186.64 ChemAxon polarizability 71.95 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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 Ubiquinone Biosynthesis SMP0087215 Specdb::CMs 20689 Specdb::CMs 39101 Specdb::CMs 282451 Specdb::CMs 377624 Specdb::MsMs 182625 Specdb::MsMs 182626 Specdb::MsMs 182627 Specdb::MsMs 182973 Specdb::MsMs 182974 Specdb::MsMs 182975 Specdb::MsMs 2427685 Specdb::MsMs 2427686 Specdb::MsMs 2427687 Specdb::MsMs 2511067 Specdb::MsMs 2511068 Specdb::MsMs 2511069 Specdb::NmrOneD 323912 Specdb::NmrOneD 323913 Specdb::NmrOneD 323914 Specdb::NmrOneD 323915 Specdb::NmrOneD 323916 Specdb::NmrOneD 323917 Specdb::NmrOneD 323918 Specdb::NmrOneD 323919 Specdb::NmrOneD 323920 Specdb::NmrOneD 323921 Specdb::NmrOneD 323922 Specdb::NmrOneD 323923 Specdb::NmrOneD 323924 Specdb::NmrOneD 323925 Specdb::NmrOneD 323926 Specdb::NmrOneD 323927 Specdb::NmrOneD 323928 Specdb::NmrOneD 323929 Specdb::NmrOneD 323930 Specdb::NmrOneD 323931 FDB024100 4444377 C05805 5280828