1.0 2011-09-21 00:13:27 UTC 2015-07-21 06:57:11 UTC FDB022402 3-Hexaprenyl-4,5-Dihydroxybenzoic acid 3-Hexaprenyl-4,5-Dihydroxybenzoic acid is an intermediate in the biosynthesis of Ubiquinone. It is a substrate for Hexaprenyldihydroxybenzoate methyltransferase (mitochondrial). [HMDB] 3-Hexaprenyl-4,5-Dihydroxybenzoate 3-Hexaprenyl-4,5-Dihydroxybenzoic acid 3,4-Dihydroxy-5-hexaprenylbenzoate 3,4-Dihydroxy-5-hexaprenylbenzoic acid Dhhpba C37H54O4 562.8223 562.402210216 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid dhhpba 63975-40-6 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+ VEPICJBQCOUQPI-IRVXXIIISA-N belongs to the class of organic compounds known as polyprenylbenzene-1,2-diols. Polyprenylbenzene-1,2-diols are compounds containing a polyisoprene chain attached to a catechol group. Polyprenylbenzene-1,2-diols Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Catechols Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Sesterterpenoids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Catechol Dihydroxybenzoic acid Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Polyprenylbenzene-1,2-diol Sesterterpenoid Ubiquinones dihydroxybenzoic acid Solid logp 8.41 ALOGPS logs -5.99 ALOGPS solubility 5.73e-04 g/l ALOGPS logp 11.05 ChemAxon pka_strongest_acidic 4.13 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid ChemAxon average_mass 562.8223 ChemAxon mono_mass 562.402210216 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O ChemAxon formula C37H54O4 ChemAxon inchi InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+ ChemAxon inchikey VEPICJBQCOUQPI-IRVXXIIISA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 180.53 ChemAxon polarizability 70.25 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Ubiquinone Biosynthesis SMP00065 map00130 Specdb::CMs 12720 Specdb::CMs 37911 Specdb::CMs 282030 Specdb::CMs 350363 Specdb::CMs 350364 Specdb::CMs 350365 Specdb::CMs 350366 Specdb::CMs 350367 Specdb::CMs 350368 Specdb::CMs 350369 Specdb::CMs 350370 Specdb::CMs 350371 Specdb::CMs 350372 Specdb::CMs 350373 Specdb::CMs 350374 Specdb::MsMs 178383 Specdb::MsMs 178384 Specdb::MsMs 178385 Specdb::MsMs 180702 Specdb::MsMs 180703 Specdb::MsMs 180704 Specdb::MsMs 2679157 Specdb::MsMs 2679158 Specdb::MsMs 2679159 Specdb::MsMs 3025875 Specdb::MsMs 3025876 Specdb::MsMs 3025877 HMDB01063 18081 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823