Accession Number: pdtdbl00120

Details of the Ligand

Ligand Name : Chlorogenic acid
Systematic Names : Chlorogenic acid; 3-Caffeoylquinic acid; Chlorogenate; Hlorogenic acid; 3-(3,4-Dihydroxycinnamoyl)quinic acid
Molecular Formula : C16H18O9
Molecular Weight : g/mol
IUPAC Name : (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Canonical SMILES : C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Ligand Description :
Chlorogenic Acid is a polyphenol and the ester of caffeic acid and quinic acid that is found in coffee and black tea, with potential antioxidant and chemopreventive activities. Chlorogenic acid scavenges free radicals, which inhibits DNA damage and may protect against the induction of carcinogenesis. In addition, this agent may upregulate the expression of genes involved in the activation of the immune system and enhances activation and proliferation of cytotoxic T-lymphocytes, macrophages, and natural killer cells. Chlorogenic acid also inhibits the activity of matrix metalloproteinases. Chlorogenic acid is a naturally occurring phenolic acid which is a carcinogenic inhibitor. It has also been shown to prevent paraquat-induced oxidative stress in rats.
Related Plants :
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/Chlorogenic_acid
  2. https://pubchem.ncbi.nlm.nih.gov/compound/1794427
  3. http://chem.sis.nlm.nih.gov/chemidplus/name/chlorogenic%20acid
Chlorogenic acid

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