1.0 2010-04-08 22:13:52 UTC 2025-11-19 02:13:32 UTC FDB018694 2-O-p-Coumaroyl-D-glucose Isolated from various commercial rhubarbs (Rheum species). 2-O-p-Coumaroyl-D-glucose is found in green vegetables. C15H18O8 326.2986 326.100167552 2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 110351-44-5 OCC1OC(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(15(21)22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+ ROJVJYZGYUIFEF-ZZXKWVIFSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hemiacetals Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hemiacetal Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol Styrene logp -0.45 ALOGPS logs -1.63 ALOGPS solubility 7.73e+00 g/l ALOGPS melting_point Mp 204-206° logp -0.2 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 326.2986 ChemAxon mono_mass 326.100167552 ChemAxon smiles OCC1OC(O)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O ChemAxon formula C15H18O8 ChemAxon inchi InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(15(21)22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+ ChemAxon inchikey ROJVJYZGYUIFEF-ZZXKWVIFSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 77.47 ChemAxon polarizability 31.77 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57609 Specdb::MsMs 57610 Specdb::MsMs 57611 Specdb::MsMs 113331 Specdb::MsMs 113332 Specdb::MsMs 113333 Specdb::MsMs 2759069 Specdb::MsMs 2759070 Specdb::MsMs 2759071 Specdb::MsMs 2949297 Specdb::MsMs 2949298 Specdb::MsMs 2949299 Specdb::CMs 18601 Specdb::CMs 46300 Specdb::CMs 168115 Specdb::NmrOneD 31482 Specdb::NmrOneD 31483 Specdb::NmrOneD 31484 Specdb::NmrOneD 31485 Specdb::NmrOneD 31486 Specdb::NmrOneD 31487 Specdb::NmrOneD 31488 Specdb::NmrOneD 31489 Specdb::NmrOneD 31490 Specdb::NmrOneD 31491 Specdb::NmrOneD 31492 Specdb::NmrOneD 31493 Specdb::NmrOneD 31494 Specdb::NmrOneD 31495 Specdb::NmrOneD 31496 Specdb::NmrOneD 31497 Specdb::NmrOneD 31498 Specdb::NmrOneD 31499 Specdb::NmrOneD 31500 Specdb::NmrOneD 31501 HMDB39167 #<Reference:0x000055ce317fb070> Green vegetables Unknown generic