Neochlorogenic Acid

• CAS: 906-33-2
• Catalog Number: ACM906332
• Category: Inhibitors
• Molecular Weight: 354.31
• Molecular Formula: C16H18O9
• Description: Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
• Synonyms: (1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid
• IUPAC Name: (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
• Canonical SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
• 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)/b4-2+/t11-,12-,14+,16-/m1/s1
• InChI Key: CWVRJTMFETXNAD-NXLLHMKUSA-N
• Density: 1.65±0.1 g/ml
• Appearance: White to off-white solid
• pKa: 3.90±0.50

Synthetic Use

Downstream Synthesis Route 1

• 24589-78-4
• 906-33-2

• 179465-92-0

Reference: [1]Fuchs, Claus; Spiteller, Gerhard
[Journal of Mass Spectrometry, 1996, vol. 31, # 6, p. 602 - 608]

Downstream Synthesis Route 2

• 202650-88-2

• 327-97-9
• 905-99-7

Reference: [1]Journal of Mass Spectrometry,1996,vol. 31,p. 602 - 608
[2]Journal of Agricultural and Food Chemistry,2003,vol. 51,p. 496 - 501

* For details of the synthesis route, please refer to the original source to ensure accuracy.