cis-Chlorogenic acid
IUPAC 名称
(1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
描述
Cis-5-caffeoylquinic acid, also known as cis-chlorogenic acid or 5-O-(Z)-caffeoylquinate, 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. Cis-5-caffeoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, cis-5-caffeoylquinic acid is primarily located in the cytoplasm. It can also be found in the extracellular space.
异构
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C(O)=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-XYXZIBEBSA-N