CAS 2450-53-5: 3,5-Dicaffeoylquinic acid
Description:3,5-Dicaffeoylquinic acid is a polyphenolic compound belonging to the family of caffeoylquinic acids, which are esters of quinic acid and caffeic acid. This compound is characterized by its two caffeoyl groups attached to the 3 and 5 positions of the quinic acid backbone. It is typically found in various plants, particularly in coffee and certain fruits, contributing to their antioxidant properties. The compound exhibits significant biological activities, including anti-inflammatory, antioxidant, and potential neuroprotective effects, making it of interest in nutritional and pharmaceutical research. Its structure allows for the formation of hydrogen bonds and interactions with other biomolecules, enhancing its functional properties. 3,5-Dicaffeoylquinic acid is soluble in polar solvents, which facilitates its extraction from plant materials. Additionally, it is stable under normal conditions but may degrade under extreme pH or temperature. Overall, this compound is a valuable subject of study for its health benefits and potential applications in food and medicine.
Formula:C25H24O12
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)/t19-,20-,23-,25+/m1/s1
InChI key:InChIKey=KRZBCHWVBQOTNZ-BBLPPJRLSA-N
SMILES:O=C(OC1CC(O)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)C=CC3=CC=C(O)C(O)=C3
- Synonyms:
- (1α,3R,4α,5R)-3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid
- 3,5-Dicaffeoylquinic acid
- 3,5-Dicaffeylquinic acid
- Cinnamic acid, 3,4-dihydroxy-, 5-carboxy-2,5-dihydroxy-1,3-cyclohexylene ester
- Cj 4-16-4
- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, 3,5-bis(3,4-dihydroxycinnamate)
- Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)-
- Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)-
- Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, [1R-(1α,3α,4α,5β)]-
- Quinic acid 3,5-di-O-caffeate
- See more synonyms
