CAS 14534-61-3: 3,4-Dicaffeoylquinic acid
Description:3,4-Dicaffeoylquinic acid is a polyphenolic compound belonging to the family of caffeoylquinic acids, which are esters formed from quinic acid and caffeic acid. This compound is characterized by its two caffeoyl groups attached to the 3 and 4 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, antimicrobial, and potential anticancer effects, making it of interest in nutritional and pharmaceutical research. Its structure allows for strong interactions with free radicals, enhancing its role as an antioxidant. Additionally, 3,4-dicaffeoylquinic acid is soluble in polar solvents, which facilitates its extraction from plant materials. The compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both food science and pharmacology. Overall, 3,4-dicaffeoylquinic acid is a valuable compound in the study of natural products and their health benefits.
Formula:C25H24O12
InChI:InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/t19-,20-,23-,25+/m1/s1
InChI key:InChIKey=UFCLZKMFXSILNL-BBLPPJRLSA-N
SMILES:O=C(OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=CC2=CC=C(O)C(O)=C2)C=CC3=CC=C(O)C(O)=C3
- Synonyms:
- (1R,4R,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid
- (1S,3R,4R,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid
- (1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid
- 3,4-Dicaffeoylquinic acid
- Cinnamic acid, 3,4-dihydroxy-, 5-carboxy-3,5-dihydroxy-1,2-cyclohexylene ester, stereoisomer
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-
- Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, [1S-(1α,3β,4α,5α)]-
- Isochlorogenic acid B
- Isochlorogenic acid B,3,4-Dicaffeoylquinic acid
- Quinic acid 3,4-di-O-caffeate
- See more synonyms
