1.0 2016-09-30 23:26:20 UTC 2020-05-21 16:28:36 UTC BMDB0006816 BMDB06816 3-hexaprenyl-4-hydroxybenzoic acid 3-Hexaprenyl-4-hydroxybenzoic acid belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. 3-Hexaprenyl-4-hydroxybenzoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Hexaprenyl-4-hydroxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. In cattle, 3-hexaprenyl-4-hydroxybenzoic acid is involved in the metabolic pathway called ubiquinone biosynthesis pathway. (all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid (all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate 3-Hexaprenyl-4-hydroxybenzoate 3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoate 3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoic acid C37H54O3 546.8229 546.407295594 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid 3-hexaprenyl-4-hydroxybenzoate 65848-03-5 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ LKMQQQABIGIHGL-LAAQXVIISA-N belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenylphenols Polyprenylphenols 1-hydroxy-2-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Sesterterpenoids 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Polyprenylphenol Sesterterpenoid Aromatic homomonocyclic compounds Ubiquinones monohydroxybenzoic acid Solid logp 8.74 ALOGPS logs -6.19 ALOGPS logp 11.35 ChemAxon pka_strongest_acidic 4.35 ChemAxon pka_strongest_basic -6.1 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-hydroxybenzoic acid ChemAxon average_mass 546.8229 ChemAxon mono_mass 546.407295594 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=CC(=CC=C1O)C(O)=O ChemAxon formula C37H54O3 ChemAxon inchi InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ ChemAxon inchikey LKMQQQABIGIHGL-LAAQXVIISA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 178.55 ChemAxon polarizability 68.67 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 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 179859 Specdb::MsMs 179860 Specdb::MsMs 179861 Specdb::MsMs 182193 Specdb::MsMs 182194 Specdb::MsMs 182195 Specdb::MsMs 2703500 Specdb::MsMs 2703501 Specdb::MsMs 2703502 Specdb::MsMs 3001552 Specdb::MsMs 3001553 Specdb::MsMs 3001554 Specdb::CMs 14459 Specdb::CMs 39099 Specdb::CMs 281628 Specdb::CMs 304426 Specdb::CMs 304427 Specdb::CMs 304428 Specdb::CMs 304429 Specdb::CMs 304430 FDB030426 10128306 11954011 C13425 31116 BMDBP02899 4-hydroxybenzoate polyprenyltransferase, mitochondrial Q2KIQ4 COQ2 Enzyme