1.0 2011-09-21 00:12:33 UTC 2015-07-21 06:57:10 UTC FDB022347 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid is an intermediate in the biosynthesis of Ubiquinone. It is a substrate for Hexaprenyldihydroxybenzoate methyltransferase (mitochondrial). [HMDB] 3-Hexaprenyl-4-hydroxy-5-methoxybenzoate 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid 3-Methoxy-4-hydroxy-5-hexaprenylbenzoate 3-Methoxy-4-hydroxy-5-hexaprenylbenzoic acid 3-Mhhb Hexaprenyl-4-hydroxy-5-methoxybenzoate Hexaprenyl-4-hydroxy-5-methoxybenzoic acid C38H56O4 576.8488 576.41786028 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoic acid 3-mhhb 66551-60-8 COC1=CC(=CC(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)C(O)=O InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+ YSZSVGFMAJXGMQ-FRICUITQSA-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. 2-polyprenyl-6-methoxyphenols Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives M-methoxybenzoic acids and derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Sesterterpenoids 2-polyprenyl-6-methoxyphenol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Hydroxybenzoic acid M-methoxybenzoic acid or derivatives Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Sesterterpenoid Ubiquinones methoxybenzoic acid monohydroxybenzoic acid Solid logp 8.61 ALOGPS logs -6.20 ALOGPS solubility 3.65e-04 g/l ALOGPS logp 11.2 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -4.9 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-hydroxy-5-methoxybenzoic acid ChemAxon average_mass 576.8488 ChemAxon mono_mass 576.41786028 ChemAxon smiles COC1=CC(=CC(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)C(O)=O ChemAxon formula C38H56O4 ChemAxon inchi InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+ ChemAxon inchikey YSZSVGFMAJXGMQ-FRICUITQSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 185.01 ChemAxon polarizability 72.35 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Ubiquinone Biosynthesis SMP00065 map00130 Specdb::CMs 22990 Specdb::CMs 37873 Specdb::CMs 282450 Specdb::CMs 377619 Specdb::CMs 377620 Specdb::CMs 377621 Specdb::CMs 377622 Specdb::CMs 377623 Specdb::MsMs 180000 Specdb::MsMs 180001 Specdb::MsMs 180002 Specdb::MsMs 182334 Specdb::MsMs 182335 Specdb::MsMs 182336 Specdb::MsMs 3052367 Specdb::MsMs 3052368 Specdb::MsMs 3052369 Specdb::MsMs 3115501 Specdb::MsMs 3115502 Specdb::MsMs 3115503 HMDB00977 16835 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