1241-87-8

1241-87-8 structure

Name: Cyclohexanecarboxylicacid
Chemical Name: 1-Caffeoylquinic acid
CAS Number: 1241-87-8
Molecular Formula: C₁₆H₁₈O₉
Molecular Weight: 354.309
Catalog: Research Areas Cancer
Create Date: 2018-08-07 00:18:07
Modify Date: 2025-08-20 13:42:33
1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].

Name	1-Caffeoylquinic acid
Synonyms	(1S,3R,4S,5R)-1-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid Cyclohexanecarboxylicacid (1S,3R,4S,5R)-1-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid Cyclohexanecarboxylic acid, 1-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3α,4α,5β)- 1-O-caffeoylquinic acid 1-Kaffeylchinasaeure

Description	1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
Related Catalog	Research Areas >> Cancer
Target	Ki: 0.002 μM (1-Caffeoylquinic acid)[1]
References	[1]. Khan MK, et al. Dietary phytochemicals as potent chemotherapeutic agents against breast cancer: Inhibition of NF-κB pathway via molecular interactions in rel homology domain of its precursor protein p105. Pharmacogn Mag. 2013 Jan;9(33):51-7. [2]. Jiang Y, et al. Caffeoylquinic acid derivatives rich extract from Gnaphalium pensylvanicum willd. Ameliorates hyperuricemia and acute gouty arthritis in animal model. BMC Complement Altern Med. 2017 Jun 17;17(1):320. [3]. Han Y, et al. PD-1/PD-L1 inhibitor screening of caffeoylquinic acid compounds using surface plasmon resonance spectroscopy. Anal Biochem. 2018 Apr 15;547:52-56.