| Identification | Back Directory | [Name]
1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- | [CAS]
73263-62-4 | [Synonyms]
5-O-caffeoylshikimic acid
5-[(E)-caffeoyl]shikimic acid
(3R)-3β,4β-Dihydroxy-5α-[3-(3,4-dihydroxyphenyl)acryloyloxy]-1-cyclohexene-1-carboxylic acid
(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
1-Cyclohexene-1-carboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (3R,4R,5R)-
1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- | [Molecular Formula]
C16H16O8 | [MDL Number]
MFCD22586495 | [MOL File]
73263-62-4.mol | [Molecular Weight]
336.29 |
| Chemical Properties | Back Directory | [Boiling point ]
635.1±55.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C, protect from light | [form ]
Solid | [pka]
4.27±0.70(Predicted) | [color ]
Off-white to light yellow |
| Hazard Information | Back Directory | [Uses]
5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. | [Definition]
ChEBI: A carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid. | [storage]
-20°C, protect from light | [References]
[1] Oleksandr Shulha, et al. Lignans and sesquiterpene lactones from Hypochaeris radicata subsp. neapolitana (Asteraceae, Cichorieae). Phytochemistry. 2019 Sep;165:112047. DOI:10.1016/j.phytochem.2019.05.020
[2] https://pubmed.ncbi.nlm.nih.gov/31203102 DOI:10.1007/s13205-021-02797-6 |
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