1.0 2010-04-08 22:05:26 UTC 2020-02-24 19:10:33 UTC FDB002595 Methyl trans-p-coumarate 4-glucoside Glycoside from seeds of Linum usitatissimum (flax). Methyl trans-p-coumarate 4-glucoside is found in many foods, some of which are tea, flaxseed, coffee and coffee products, and fats and oils. Linocinnamarin Methyl (E)-3-(4-Hydroxyphenyl)-2-propenoate O-b-D-glucopyranoside Methyl (E)-p-coumaroate O-b-D-glucopyranoside Methyl trans-p-coumarate 4-glucoside Methyl trans-p-coumaroate 4-glucoside Methyl trans-p-coumaroate O-b-D-glucoside C16H20O8 340.3252 340.115817616 methyl (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate methyl (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate 7400-08-0 COC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+ KPYQJVYNSWDFQU-QPJJXVBHSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Carbonyl compounds Cinnamic acid esters Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp -0.27 ALOGPS logs -1.81 ALOGPS solubility 5.23e+00 g/l ALOGPS melting_point Mp 167° (anhyd.) logp -0.056 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate ChemAxon average_mass 340.3252 ChemAxon mono_mass 340.115817616 ChemAxon smiles COC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C16H20O8 ChemAxon inchi InChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+ ChemAxon inchikey KPYQJVYNSWDFQU-QPJJXVBHSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 81.95 ChemAxon polarizability 34.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24220 Specdb::CMs 42080 Specdb::CMs 136119 Specdb::CMs 143853 Specdb::NmrOneD 162069 Specdb::NmrOneD 162070 Specdb::NmrOneD 162071 Specdb::NmrOneD 162072 Specdb::NmrOneD 162073 Specdb::NmrOneD 162074 Specdb::NmrOneD 162075 Specdb::NmrOneD 162076 Specdb::NmrOneD 162077 Specdb::NmrOneD 162078 Specdb::NmrOneD 162079 Specdb::NmrOneD 162080 Specdb::NmrOneD 162081 Specdb::NmrOneD 162082 Specdb::NmrOneD 162083 Specdb::NmrOneD 162084 Specdb::NmrOneD 162085 Specdb::NmrOneD 162086 Specdb::NmrOneD 162087 Specdb::NmrOneD 162088 Specdb::MsMs 68085 Specdb::MsMs 68086 Specdb::MsMs 68087 Specdb::MsMs 126039 Specdb::MsMs 126040 Specdb::MsMs 126041 Specdb::MsMs 2296106 Specdb::MsMs 2296107 Specdb::MsMs 2296108 Specdb::MsMs 2643006 Specdb::MsMs 2643007 Specdb::MsMs 2643008 HMDB30678 #<Reference:0x000055ce326496b8> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Fats and oils Unknown generic Flaxseed Type 1 specific Linum usitatissimum 4006 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442