Isochlorogenic Acid A

• CAS: 2450-53-5
• Catalog Number: ACM2450535
• Category: Inhibitors
• Molecular Weight: 516.45
• Molecular Formula: C25H24O12
• Description: Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
• Synonyms: 3,5-Dicaffeoylquinic acid
• IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
• Canonical SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
• InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
• InChI Key: KRZBCHWVBQOTNZ-RDJMKVHDSA-N
• Melting Point: >175 °C (dec.)
• Appearance: Off-white to yellow/brown crystalline solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• pKa: 3.54±0.50
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsCaprifoliaceaeLonicera japonica Thunb.

Synthetic Use

Upstream Synthesis Route 1

• 1049703-62-9

• 331-39-5
• 77-95-2
• 2450-53-5

Reference: [1] Agricultural and Biological Chemistry, 1985, vol. 49, # 8, p. 2467 - 2470