| Identification | Back 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 Properties | Back 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 Information | Back 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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