1.0 2010-04-08 22:15:38 UTC 2019-11-26 03:20:16 UTC FDB021350 trans-p-Coumaric acid 4-glucoside Constituent of Brassica subspecies and other plant subspecies trans-p-Coumaric acid 4-glucoside is found in many foods, some of which are red raspberry, brassicas, blackcurrant, and strawberry. (E)-3-(4-Hydroxyphenyl)-2-propenoic acid O-b-D-glucopyranoside 4-O-b-D-Glucopyranosyl-p-coumaric acid p-Coumaric acid 4-O-glucoside trans-p-Coumaric acid 4-glucoside trans-p-Coumaric acid 4-O-glucoside C15H18O8 326.2986 326.100167552 (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid 14364-05-7 OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+ LJFYQZQUAULRDF-ZZXKWVIFSA-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 Carboxylic acids Cinnamic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Hexose monosaccharide Hydrocarbon derivative 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 -0.35 ALOGPS logs -1.81 ALOGPS solubility 5.08e+00 g/l ALOGPS melting_point Mp 191-192.5° logp -0.44 ChemAxon pka_strongest_acidic 3.72 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid ChemAxon average_mass 326.2986 ChemAxon mono_mass 326.100167552 ChemAxon smiles OCC1OC(OC2=CC=C(\C=C\C(O)=O)C=C2)C(O)C(O)C1O ChemAxon formula C15H18O8 ChemAxon inchi InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+ ChemAxon inchikey LJFYQZQUAULRDF-ZZXKWVIFSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 77.19 ChemAxon polarizability 31.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26357 Specdb::CMs 46442 Specdb::CMs 145918 Specdb::MsMs 62781 Specdb::MsMs 62782 Specdb::MsMs 62783 Specdb::MsMs 119583 Specdb::MsMs 119584 Specdb::MsMs 119585 Specdb::MsMs 2742616 Specdb::MsMs 2742617 Specdb::MsMs 2742618 Specdb::MsMs 2940071 Specdb::MsMs 2940072 Specdb::MsMs 2940073 Specdb::NmrOneD 33602 Specdb::NmrOneD 33603 Specdb::NmrOneD 33604 Specdb::NmrOneD 33605 Specdb::NmrOneD 33606 Specdb::NmrOneD 33607 Specdb::NmrOneD 33608 Specdb::NmrOneD 33609 Specdb::NmrOneD 33610 Specdb::NmrOneD 33611 Specdb::NmrOneD 33612 Specdb::NmrOneD 33613 Specdb::NmrOneD 33614 Specdb::NmrOneD 33615 Specdb::NmrOneD 33616 Specdb::NmrOneD 33617 Specdb::NmrOneD 33618 Specdb::NmrOneD 33619 Specdb::NmrOneD 33620 Specdb::NmrOneD 33621 HMDB39509 17335 #<Reference:0x000055ce3229c498> Blackcurrant Type 1 specific Ribes nigrum 78511 0.416098 0.514146343 0.318048775 mg/100 g Brassicas Unknown generic 3705 Cloudberry Type 1 specific Rubus chamaemorus 57936 0.0 0.0 0.0 mg/100 g Flaxseed Type 1 specific Linum usitatissimum 4006 327.5 327.5 327.5 mg/100 g Gooseberry Type 1 specific Ribes uva-crispa 135518 0.5 0.500000015 0.500000015 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.95 0.950000003 0.950000003 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 0.8 0.800000012 0.800000012 mg/100 g Red raspberry Type 1 specific Rubus idaeus 32247 0.331301 0.33130082 0.33130082 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.735137 0.794420719 0.67585367 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.266667 0.266666671 0.266666671 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.15 0.150000006 0.150000006 mg/100 g