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ChemicalBook--->CAS DataBase List--->1241-87-8

1241-87-8

1241-87-8 Structure

1241-87-8 Structure
IdentificationBack Directory
[Name]

1-Caffeoylquinic acid
[CAS]

1241-87-8
[Synonyms]

1-Caffeoylquinicaci
1-Caffeoylquinic acid
1-O-caffeoylquinic acid
3,4-Dihydroxycinnamic acid (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-,(1a,3R,4a,5R)
Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)-
[Molecular Formula]

C16H18O9
[MDL Number]

MFCD10566609
[MOL File]

1241-87-8.mol
[Molecular Weight]

354.309
Chemical PropertiesBack Directory
[Boiling point ]

636.2±55.0 °C(Predicted)
[density ]

1.65
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

powder
[pka]

2.94±0.50(Predicted)
[color ]

White
[LogP]

-0.587 (est)
Hazard InformationBack Directory
[Chemical Properties]

Earthy yellow crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from honeysuckle.
[Uses]

1-Caffeoylquinic Acid can be useful in valorization, green extraction development, and metabolomic analysis of wild artichoke byproduct using pressurized liquid extraction UPLC-HRMS and multivariate data analysis.
[Definition]

ChEBI: 1-O-caffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. It has a role as a Camellia sinensis metabolite, a NF-kappaB inhibitor, an antineoplastic agent and an antioxidant. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid.
[Biological Activity]

1-Caffeoylquinic acid 1-Caffeoylquinic acid is a potent NF-κB inhibitor, showing high binding affinity to the RH domain of p105 with a Ki value of 0.002 μM and a binding energy of 1.50 Kcal/mol. 1-Caffeoylquinic acid has the ability to resist oxidative stress. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interaction.
[target]

Ki: 0.002 μM (1-Caffeoylquinic acid)

[storage]

4°C, protect from light
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