1.0 2010-04-08 22:04:39 UTC 2019-11-26 02:55:10 UTC FDB000663 Methyl gallate Methyl gallate, also known as methyl 3 or methyl galloic acid, is a member of the class of compounds known as galloyl esters. Galloyl esters are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Methyl gallate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Methyl gallate can be found in peach and pomegranate, which makes methyl gallate a potential biomarker for the consumption of these food products. Methyl gallate is a phenolic compound. It is the methyl ester of gallic acid . 3,4,5-Trihydroxy-benzoic acid methyl ester Benzoic acid, 3,4,5-trihydroxy-, methyl ester Gallic acid methyl ester Gallic acid, methyl ester Gallicin? Methyl 3,4,5-trihydroxybenzoate Methyl gallate Methyl galloate Methylgallate C8H8O5 184.1461 184.037173366 methyl 3,4,5-trihydroxybenzoate methyl gallate 99-24-1 COC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 FBSFWRHWHYMIOG-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Polyols Pyrogallols and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Hydrocarbon derivative M-hydroxybenzoic acid ester Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative logp 1.01 ALOGPS logs -1.65 ALOGPS solubility 4.11e+00 g/l ALOGPS melting_point Mp 157° logp 1.07 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 184.1461 ChemAxon mono_mass 184.037173366 ChemAxon smiles COC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C8H8O5 ChemAxon inchi InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 ChemAxon inchikey FBSFWRHWHYMIOG-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 44.03 ChemAxon polarizability 16.99 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 106167 Specdb::CMs 118327 Specdb::CMs 933983 Specdb::CMs 933984 Specdb::CMs 933985 Specdb::CMs 933986 Specdb::CMs 933987 Specdb::CMs 933988 Specdb::CMs 933989 Specdb::CMs 933990 Specdb::CMs 933991 Specdb::CMs 933992 Specdb::NmrOneD 234058 Specdb::NmrOneD 234059 Specdb::NmrOneD 234060 Specdb::NmrOneD 234061 Specdb::NmrOneD 234062 Specdb::NmrOneD 234063 Specdb::NmrOneD 234064 Specdb::NmrOneD 234065 Specdb::NmrOneD 234066 Specdb::NmrOneD 234067 Specdb::NmrOneD 234068 Specdb::NmrOneD 234069 Specdb::NmrOneD 234070 Specdb::NmrOneD 234071 Specdb::NmrOneD 234072 Specdb::NmrOneD 234073 Specdb::NmrOneD 234074 Specdb::NmrOneD 234075 Specdb::NmrOneD 234076 Specdb::NmrOneD 234077 Specdb::MsMs 107652 Specdb::MsMs 107653 Specdb::MsMs 107654 Specdb::MsMs 174678 Specdb::MsMs 174679 Specdb::MsMs 174680 Specdb::MsMs 2236311 Specdb::MsMs 2237052 Specdb::MsMs 3444187 Specdb::MsMs 3444188 Specdb::MsMs 3444189 Specdb::MsMs 3445093 Specdb::MsMs 3445094 Specdb::MsMs 3445095 551062 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Peach Type 1 specific Prunus persica 3760 Pomegranate Type 1 specific Punica granatum 22663 anti allergenic 102 A drug used to treat allergic reactions. anti asthmatic 134 A drug used to treat asthma. anti bacterial 145 A substance that kills or slows the growth of bacteria. anti bronchitic 154 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti herpetic 329 A substance that destroys or inhibits replication of viruses. anti leukemic 393 A substance that inhibits or prevents the proliferation of neoplasms. anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. anti staphylococcic 627 A substance that kills or slows the growth of bacteria. anti viral 689 A substance that destroys or inhibits replication of viruses. antioxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Gram(-)icide 963 A substance that kills or slows the growth of bacteria. Gram(+)icide 962 A substance that kills or slows the growth of bacteria. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. reverse transcriptase inhibitor 1295 An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need to reproduce. xanthine oxidase inhibitor 1431 An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).