trans-5-O-caffeoyl-D-quinate
IUPAC 名称
(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
描述
Chlorogenic acid, also known as 3-caffeoylquinic acid or chlorogenate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Chlorogenic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Chlorogenic acid can be found in a number of food items such as strawberry guava, natal plum, almond, and common cabbage, which makes chlorogenic acid a potential biomarker for the consumption of these food products. Chlorogenic acid can be found primarily in blood and urine, as well as in human bladder and fibroblasts tissues. Chlorogenic acid (CGA) is the ester of caffeic acid and (−)-quinic acid, functioning as an intermediate in lignin biosynthesis. The term "chlorogenic acids" refers to a related polyphenol family of esters, including hydroxycinnamic acids (caffeic acid, ferulic acid and p-coumaric acid) with quinic acid .
CAS号
327-97-9 202650-88-2
异构
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O
InChI标识符
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
键
CWVRJTMFETXNAD-JUHZACGLSA-N