1.0 2016-05-22 07:09:44 UTC 2026-03-27 01:14:10 UTC 1,5-Dicaffeoylquinic acid SmallMolecule 1,5-Dicaffeoylquinic acid (C25H24O12) is a chemical compound found in several recorded sources. These include food, food processing, and cookware, specifically in the preparation of wine or sparkling wine and the preparation of vinegar. Additionally, it is associated with household cleaning and consumer products, including pipe accessories, other smoking requisites, and tobacco product moisture control. 1,5-Dicaffeoylquinic acid belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 516.46 g/mol, 1,5-Dicaffeoylquinic acid is a heavy molecule. cynarin C25H24O12 516.455 516.126776213 (1R,3R,4S,5R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid (1R,3R,4S,5R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid 30964-13-7 [H][C@@]1(O)C[C@](C[C@@]([H])(OC(=O)C=CC2=CC(O)=C(O)C=C2)[C@@]1([H])O)(OC(=O)C=CC1=CC(O)=C(O)C=C1)C(O)=O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1 YDDUMTOHNYZQPO-GCBRTHAASA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Quinic acids and derivatives 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Catechols Cinnamic acid esters Coumaric acids and derivatives Cyclohexanols Enoate esters Fatty acid esters Hydrocarbon derivatives Organic oxides Styrenes Tricarboxylic acids and derivatives 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Cyclohexanol Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxycinnamic acid or derivatives Monocyclic benzene moiety Organic oxide Phenol Quinic acid Secondary alcohol Styrene Tricarboxylic acid or derivatives Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.07 ALOGPS logs -3.58 ALOGPS solubility 1.37e-01 g/l ALOGPS logp 2.16 ChemAxon pka_strongest_acidic 3.18 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1R,3R,4S,5R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid ChemAxon average_mass 516.455 ChemAxon mono_mass 516.126776213 ChemAxon smiles [H][C@@]1(O)C[C@](C[C@@]([H])(OC(=O)C=CC2=CC(O)=C(O)C=C2)[C@@]1([H])O)(OC(=O)C=CC1=CC(O)=C(O)C=C1)C(O)=O ChemAxon formula C25H24O12 ChemAxon inchi InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1 ChemAxon inchikey YDDUMTOHNYZQPO-GCBRTHAASA-N ChemAxon polar_surface_area 211.28 ChemAxon refractivity 126.76 ChemAxon polarizability 49.54 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd3f57bc8> 5281769 4445082