CAS 1241-87-8: 1-Caffeoylquinic acid
Description:1-Caffeoylquinic acid, with the CAS number 1241-87-8, is a naturally occurring phenolic compound that belongs to the class of hydroxycinnamic acids. It is characterized by its structure, which consists of a quinic acid moiety esterified with a caffeoyl group. This compound is typically found in various plants, particularly in coffee and certain fruits, contributing to their antioxidant properties. 1-Caffeoylquinic acid exhibits a range of biological activities, including anti-inflammatory, antimicrobial, and potential neuroprotective effects. It is soluble in water and organic solvents, making it versatile for various applications in food, pharmaceuticals, and cosmetics. The compound is also of interest in research for its role in plant metabolism and its potential health benefits when consumed as part of a diet rich in polyphenols. Overall, 1-caffeoylquinic acid is a significant compound in both nutritional and medicinal contexts, reflecting the importance of phenolic compounds in human health.
Formula:C16H18O9
InChI:InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/t11-,12-,14-,16+/m1/s1
InChI key:InChIKey=GWTUHAXUUFROTF-NCZKRNLISA-N
SMILES:O=C(O)C1(OC(=O)C=CC2=CC=C(O)C(O)=C2)CC(O)C(O)C(O)C1
- Synonyms:
- (1α,3R,4α,5R)-1-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxycyclohexanecarboxylic acid
- 1-O-Caffeoylquinic acid
- 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid
- Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-, 1-(3,4-dihydroxycinnamate)
- Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-
- Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-