1.0 2016-09-30 22:39:23 UTC 2020-05-21 16:26:59 UTC BMDB0000977 BMDB00977 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid, also known as 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid, 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. 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. In cattle, 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid is involved in the metabolic pathway called ubiquinone biosynthesis pathway. 3-Hexaprenyl-4-hydroxy-5-methoxybenzoate 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. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols 2-polyprenyl-6-methoxyphenols 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 Aromatic homomonocyclic compounds Ubiquinones methoxybenzoic acid monohydroxybenzoic acid Solid logp 8.61 ALOGPS logs -6.20 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 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::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 Specdb::CMs 22990 Specdb::CMs 37873 Specdb::CMs 282450 Specdb::CMs 377619 Specdb::CMs 377620 Specdb::CMs 377621 Specdb::CMs 377622 Specdb::CMs 377623 C05313 FDB022347 4444339 5280776 16835 5915 BMDBP00413 Ubiquinone biosynthesis O-methyltransferase, mitochondrial Q3T131 COQ3 Enzyme