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Substance Name: trans-Chlorogenic acid
RN: 202650-88-2
UNII: 318ADP12RI
InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N

Note

  • A naturally occurring phenolic acid which is a carcinogenic inhibitor. It has also been shown to prevent paraquat-induced oxidative stress in rats. (From J Chromatogr A 1996;741(2):223-31; Biosci Biotechnol Biochem 1996;60(5):765-68).

Molecular Formula

  • C16-H18-O9

Molecular Weight

  • 354.3092
 
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Names and Synonyms

Name of Substance

  • trans-Chlorogenic acid

MeSH Heading

  • Chlorogenic Acid

Synonyms

  • (+)-Chlorogenic acid
  • 5-Cqa
  • 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid
  • Chlorogenic acid
  • Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]
  • Chlorogenic acid (constituent of st. john's wort) [DSC]
  • Chlorogenic acid [MI]
  • Chlorogenic acid [WHO-DD]
  • CP chlorogenic acid
  • Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-
  • Heriguard
  • NSC-407296
  • NSC-70861
  • trans-5-o-Caffeoylquinic acid
  • trans-Caffeic acid 5-o-D-quinate
  • trans-Chlorogenic acid
  • UNII-318ADP12RI

Registry Numbers

CAS Registry Number

  • 202650-88-2

FDA UNII

  • 318ADP12RI

System Generated Number

  • 0202650882

Structure Descriptors

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

InChIKey

CWVRJTMFETXNAD-JUHZACGLSA-N

Smiles

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O