5-FQA

Name: 5-FQA
CAS#: 40242-06-6
Chemical Formula: C17H20O9
Exact Mass: 368.1107
Molecular Weight: 368.338
Elemental Analysis: C, 55.43; H, 5.47; O, 39.09

Description: 5-Feruloylquinic acid (5-FQA) is a chlorogenic acid that has been found in green coffee beans and has antioxidant activity. It scavenges DPPH and superoxide anion radicals in cell-free assays (IC50s = ~9 and ~36 µM, respectively).

IUPAC/Chemical Name: (1R,3R,4S,5R)-1,3,4-trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

InChi Key: RAGZUCNPTLULOL-KQJPBSFVSA-N

InChi Code: InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1

SMILES Code: COC1=C(O)C=CC(/C=C/C(O[C@@H]2C[C@](C[C@@H](O)[C@@H]2O)(C(O)=O)O)=O)=C1

Appearance: Solid powder