1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:26 UTC FDB015905 1-O-p-Coumaroyl-beta-D-glucose Isolated from many plants, e.g. Solanum and Fragaria subspecies 1-O-p-Coumaroyl-beta-D-glucose is found in many foods, some of which are white cabbage, redcurrant, italian sweet red pepper, and potato. 1-O-p-Coumaroylglucose 1-O-p-Hydroxycinnamoylglucose beta-D-Glucopyranose, 1-(3-(4-hydroxyphenyl)-2-propenoate) Glucose 1-[3-(4-hydroxyphenyl)-2-propenoate] C15H18O8 326.2986 326.100167552 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 7139-64-2 OCC1OC(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(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+ DSNCQKUYZOSARM-ZZXKWVIFSA-N belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. Hydroxycinnamic acid glycosides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Carbonyl compounds Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-cinnamoyl glycosides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Acetal 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 Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid glycoside Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-cinnamoyl glycoside Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol Styrene logp -0.51 ALOGPS logs -1.60 ALOGPS solubility 8.20e+00 g/l ALOGPS melting_point Mp 212° logp -0.2 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 326.2986 ChemAxon mono_mass 326.100167552 ChemAxon smiles OCC1OC(OC(=O)\C=C\C2=CC=C(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(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 DSNCQKUYZOSARM-ZZXKWVIFSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 77.47 ChemAxon polarizability 32.34 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22953 Specdb::CMs 45139 Specdb::CMs 134523 Specdb::CMs 142257 Specdb::MsMs 53301 Specdb::MsMs 53302 Specdb::MsMs 53303 Specdb::MsMs 112128 Specdb::MsMs 112129 Specdb::MsMs 112130 Specdb::MsMs 2436787 Specdb::MsMs 2436788 Specdb::MsMs 2436789 Specdb::MsMs 2528424 Specdb::MsMs 2528425 Specdb::MsMs 2528426 Specdb::NmrOneD 137530 Specdb::NmrOneD 137531 Specdb::NmrOneD 137532 Specdb::NmrOneD 137533 Specdb::NmrOneD 137534 Specdb::NmrOneD 137535 Specdb::NmrOneD 137536 Specdb::NmrOneD 137537 Specdb::NmrOneD 137538 Specdb::NmrOneD 137539 Specdb::NmrOneD 137540 Specdb::NmrOneD 137541 Specdb::NmrOneD 137542 Specdb::NmrOneD 137543 Specdb::NmrOneD 137544 Specdb::NmrOneD 137545 Specdb::NmrOneD 137546 Specdb::NmrOneD 137547 Specdb::NmrOneD 137548 Specdb::NmrOneD 137549 HMDB36936 #<Reference:0x000055ce31f73cf8> Apple Type 1 specific Malus pumila 283210 0.13531 0.158000004 0.11262069 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 1.133333 1.133333325 1.133333325 mg/100 g Broccoli Type 1 specific Brassica oleracea var. italica 36774 Brussel sprouts Type 1 specific Brassica oleracea var. gemmifera 178616 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Chives Type 1 specific Allium schoenoprasum 74900 Common pea Type 1 specific Pisum sativum 3888 Fruits Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Gooseberry Type 1 specific Ribes uva-crispa 135518 0.7 0.699999988 0.699999988 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 0.12 0.120000005 0.120000005 mg/100 g Green vegetables Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.295 0.295000007 0.295000007 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 1.5 1.5 1.5 mg/100 g Pear Type 1 specific Pyrus communis 23211 0.0 0.0 0.0 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.2075 0.295000007 0.120000005 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 Red bell pepper Type 1 specific Capsicum annuum 4072 0.295 0.295000007 0.295000007 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.066667 0.066666668 0.066666668 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.666667 0.666666677 0.666666677 mg/100 g Soy bean Type 1 specific Glycine max 3847 Strawberry Type 1 specific Fragaria X ananassa 3747 4.370028 4.370028424 4.370028424 mg/100 g White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC.