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CAS 327-97-9

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Chlorogenic acid

Description:
Chlorogenic acid is a naturally occurring compound classified as a polyphenol and is primarily found in various plants, particularly in coffee beans, fruits, and vegetables. It is known for its antioxidant properties, which contribute to its potential health benefits, including anti-inflammatory and anti-diabetic effects. The chemical structure of chlorogenic acid consists of a caffeic acid and a quinic acid moiety, making it a key player in the metabolism of phenolic compounds. It is soluble in water and exhibits a yellowish-brown color in its pure form. Chlorogenic acid is also recognized for its role in the flavor and aroma of coffee, influencing its sensory characteristics. In addition to its nutritional significance, research has indicated that chlorogenic acid may have potential therapeutic applications, including weight management and cardiovascular health. However, further studies are needed to fully understand its mechanisms and efficacy in various health contexts. Overall, chlorogenic acid is a significant compound in both food chemistry and nutritional science.
Formula:C16H18O9
InChI: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)/t11-,12-,14-,16+/m1/s1
InChI key:InChIKey=CWVRJTMFETXNAD-NCZKRNLISA-N
SMILES:O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@H]2C[C@@](C(O)=O)(O)C[C@@H](O)[C@H]2O
Synonyms:
  • (1S,3R,4R,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • (1S,3R,4R,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid
  • 3-(3,4-Dihydroxycinnamoyl)quinic acid
  • 3-Caffeoylquinic acid
  • 3-O-(3,4-Dihydroxycinnamoyl)-<span class="text-smallcaps">D</span>-quinic acid
  • 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
  • 3-O-Caffeoylquinic acid
  • 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • 5-Chlorogenic acid
  • See more synonyms
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