1241-87-8
1241-87-8
Chemical Structure
1-Caffeoylquinic acid
- CAS No.: 1241-87-8
- Formula:C16H18O9
- Molecular Weight:354.31
IUPAC Name: (1S,3R,4S,5R)-1-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3,4,5-trihydroxycyclohexane-1-carboxylic acid
InChIKey: GWTUHAXUUFROTF-JUHZACGLSA-N
SMILES: O[C@@H]1[C@H](O)C[C@@](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)(C(O)=O)C[C@H]1O
Biological Activity: 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.007 μM[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid is the Inhibitor for PD-1/PD-L1[3].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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1-Caffeoylquinic acid | 99.54% | 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.007 μM. 1-Caffeoylquinic acid has anti-oxidative stress ability. 1-Caffeoylquinic acid is the Inhibitor for PD-1/PD-L1. | ||||||||||||||||||||
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1-Caffeoylquinic acid (Standard) | ≥98% | 1-Caffeoylquinic acid (Standard) is the analytical standard of 1-Caffeoylquinic acid. This product is intended for research and analytical applications. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.007 μM. 1-Caffeoylquinic acid has anti-oxidative stress ability. 1-Caffeoylquinic acid is the inhibitor for PD-1/PD-L1. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.79
HY-N0055Atrans-Chlorogenic acid -
Similarity Score 0.79
HY-N0055RChlorogenic acid (Standard) -
Similarity Score 0.79
HY-N0722A(Z)-Neochlorogenic acid -
Similarity Score 0.79
HY-N0722RNeochlorogenic acid (Standard) -
Similarity Score 0.78
HY-N0787Cryptochlorogenic acid -
Similarity Score 0.74
HY-N41683-O-Caffeoylquinic acid methyl ester -
Similarity Score 0.74
HY-N4168ANeochlorogenic acid methyl ester -
Similarity Score 0.74
HY-N4168BMethyl chlorogenate -
Similarity Score 0.74
HY-N8604Methyl 4-O-caffeoylquinate -
Explore the MedChemAI to find more analogs
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. [Content Brief]
- [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. [Content Brief]
- [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. [Content Brief]
