1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:26 UTC FDB015906 1-O-Caffeoylglucose Present in many plants, e.g. Solanum, Raphanus etc. subspecies 1-O-Caffeoylglucose is found in many foods, some of which are jostaberry, redcurrant, brassicas, and strawberry. 1-Caffeoyl-beta-D-glucose 1-O-Caffeoylglucose Caffeic-beta-d-gluside C15H18O9 342.298 342.095082174 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 14364-08-0 OCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+ WQSDYZZEIBAPIN-DUXPYHPUSA-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 1-hydroxy-4-unsubstituted benzenoids Acetals Carbonyl compounds Catechols 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 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Cinnamic 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 -0.70 ALOGPS logs -1.69 ALOGPS solubility 6.98e+00 g/l ALOGPS melting_point Mp 96-98° logp -0.51 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate ChemAxon average_mass 342.298 ChemAxon mono_mass 342.095082174 ChemAxon smiles OCC1OC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C15H18O9 ChemAxon inchi InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+ ChemAxon inchikey WQSDYZZEIBAPIN-DUXPYHPUSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 79.45 ChemAxon polarizability 33.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46917 Specdb::MsMs 46918 Specdb::MsMs 46919 Specdb::MsMs 160008 Specdb::MsMs 160009 Specdb::MsMs 160010 Specdb::MsMs 2689262 Specdb::MsMs 2689263 Specdb::MsMs 2689264 Specdb::MsMs 2993681 Specdb::MsMs 2993682 Specdb::MsMs 2993683 Specdb::CMs 19132 Specdb::CMs 45140 Specdb::CMs 168255 Specdb::NmrOneD 137550 Specdb::NmrOneD 137551 Specdb::NmrOneD 137552 Specdb::NmrOneD 137553 Specdb::NmrOneD 137554 Specdb::NmrOneD 137555 Specdb::NmrOneD 137556 Specdb::NmrOneD 137557 Specdb::NmrOneD 137558 Specdb::NmrOneD 137559 Specdb::NmrOneD 137560 Specdb::NmrOneD 137561 Specdb::NmrOneD 137562 Specdb::NmrOneD 137563 Specdb::NmrOneD 137564 Specdb::NmrOneD 137565 Specdb::NmrOneD 137566 Specdb::NmrOneD 137567 Specdb::NmrOneD 137568 Specdb::NmrOneD 137569 HMDB36937 #<Reference:0x000055ce326485b0> Black elderberry Type 1 specific Sambucus nigra 4202 Blackcurrant Type 1 specific Ribes nigrum 78511 3.0125 3.230000019 2.795000046 mg/100 g Brassicas Unknown generic 3705 Gooseberry Type 1 specific Ribes uva-crispa 135518 0.9 0.899999976 0.899999976 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 3.5 3.5 3.5 mg/100 g Radish Type 1 specific Raphanus sativus 3726 Redcurrant Type 1 specific Ribes rubrum 175228 0.333333 0.333333338 0.333333338 mg/100 g Root vegetables Unknown generic Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.5 0.50000002 0.50000002 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.1 0.100000001 0.100000001 mg/100 g