Prenyl caffeateCAS# 100884-13-7 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 100884-13-7 | SDF | Download SDF |
| PubChem ID | 5281790 | Appearance | Powder |
| Formula | C14H16O4 | M.Wt | 248.28 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Synonyms | Prenyl Caffeate; Isoprenyl Caffeate; 3-Methyl-2-Butenyl Caffeate; 1,1-Dacae; Prenyl Cis-Caffeate; 1,1-Dimethylallyl Caffeic Acid Ester | ||
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 3-methylbut-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | ||
| SMILES | CC(=CCOC(=O)C=CC1=CC(=C(C=C1)O)O)C | ||
| Standard InChIKey | TTYOHMFLCXENHR-GQCTYLIASA-N | ||
| Standard InChI | InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
Prenyl caffeate Dilution Calculator
Prenyl caffeate Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 4.0277 mL | 20.1386 mL | 40.2771 mL | 80.5542 mL | 100.6928 mL |
| 5 mM | 0.8055 mL | 4.0277 mL | 8.0554 mL | 16.1108 mL | 20.1386 mL |
| 10 mM | 0.4028 mL | 2.0139 mL | 4.0277 mL | 8.0554 mL | 10.0693 mL |
| 50 mM | 0.0806 mL | 0.4028 mL | 0.8055 mL | 1.6111 mL | 2.0139 mL |
| 100 mM | 0.0403 mL | 0.2014 mL | 0.4028 mL | 0.8055 mL | 1.0069 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Selective analysis of phenolic compounds in propolis by HPLC-MS/MS.[Pubmed:17654520]
Phytochem Anal. 2008 Jan-Feb;19(1):32-9.
Phenolic compounds (flavonoids and phenolic acid derivatives) are major active constituents of the resinous fraction of propolis, and also represent its allergenic principles. We have developed a chromatography electrospray ionisation tandem mass spectrometry (HPLC-ESI-MS/MS) method to characterise the polyphenolic fraction of propolis rapidly and quali-quantitatively. With precursor ion scanning, selective detection of caffeic esters was easily achieved, confirming the identification of Prenyl caffeate, benzyl caffeate and phenylethyl caffeate by comparison with synthetic standards. The ionisation and fragmentation behaviour of the major propolis flavonoids was rationalised and applied to selected real samples. Taken together, the results of this study show that the introduction of precursor ion analysis leads to a significant improvement in the characterisation of the phenolic fraction of propolis, paving the way to the establishment of a better quality control for this important natural remedy.
Oxidative activation of the propolis hapten isoprenyl caffeate.[Pubmed:7747533]
Acta Derm Venereol. 1995 Jan;75(1):34-6.
The reactions of isoPrenyl caffeate, the strongest allergen known to be present in propolis, with plausible functional groups of proteins were studied. The thiols glutathione and cysteine, which add to isoPrenyl caffeate after having been oxidised to the corresponding quinone, served as model substances. The structure of the thiol adducts was determined by spectroscopic methods, addition being found to occur at C-2. The results support the hypothesis that the catecholic propolis hapten is a pro-hapten that forms a complete antigen after oxidation to caffeate quinone and addition to nucleophilic groups of proteins.
