4-p-Coumaroylquinic acid (BioDeep_00000226698)

Main id: BioDeep_00000004041

 

human metabolite PANOMIX_OTCML-2023 natural product


Metabolite Card


(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

  Formula: C16H18O8 (338.1002)
Chinese Names: 4-对羟基香豆酰奎尼酸
  Spectrum Hits: Top Source () 0%

Molecular Structure

SMILES: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O
InChI: InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1


Description

4-p-coumaroylquinic acid 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. 4-p-coumaroylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-p-coumaroylquinic acid can be found in a number of food items such as pear, apricot, gooseberry, and sweet cherry, which makes 4-p-coumaroylquinic acid a potential biomarker for the consumption of these food products.

Synonyms

15 synonym names

(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid; (3R,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate; 4-p-Coumaroylquinic acid; 4-p-Coumaroylquinate; 4-p-Coumaroylquinic acid; (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid; (3R,5R)-1,3,5-trihydroxy-4-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid; (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid; 4-Coumaroylquinic acid; 4-o-Coumaroylquinic acid; 4-O-p-Coumaroylquinic acid; 4-p-Cqa; CYCLOHEXANECARBOXYLIC ACID, 1,3,5-TRIHYDROXY-4-(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-; Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1alpha,3R,4alpha,5R)-; MEGxp0_000071



Cross Reference

15 cross reference id

Classification Terms

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76 organism taxonomy source information

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Sub-cellular location Genes


Literature Reference