2,2-Dimethyl-8-prenylchromene 6-carboxylic acidCAS# 151731-50-9 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 151731-50-9 | SDF | Download SDF |
PubChem ID | 441962 | Appearance | Powder |
Formula | C17H20O3 | M.Wt | 272.3 |
Type of Compound | Phenols | Storage | Desiccate at -20°C |
Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
Chemical Name | 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylic acid | ||
SMILES | CC(=CCC1=C2C(=CC(=C1)C(=O)O)C=CC(O2)(C)C)C | ||
Standard InChIKey | MCQWYGYDCGLCJD-UHFFFAOYSA-N | ||
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. |
Description | 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid showed antioxidative activity. |
In vitro | Antioxidative, Antihyaluronidase and Antityrosinase Activities of Some Constituents from the Aerial Part of Piper elongatum VAHL.[Reference: WebLink]Food Science and Technology Research, 2003, 9(2):197-201.
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2,2-Dimethyl-8-prenylchromene 6-carboxylic acid Dilution Calculator
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 3.6724 mL | 18.3621 mL | 36.7242 mL | 73.4484 mL | 91.8105 mL |
5 mM | 0.7345 mL | 3.6724 mL | 7.3448 mL | 14.6897 mL | 18.3621 mL |
10 mM | 0.3672 mL | 1.8362 mL | 3.6724 mL | 7.3448 mL | 9.1811 mL |
50 mM | 0.0734 mL | 0.3672 mL | 0.7345 mL | 1.469 mL | 1.8362 mL |
100 mM | 0.0367 mL | 0.1836 mL | 0.3672 mL | 0.7345 mL | 0.9181 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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The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 2-[(E)-2-(2-bromophenyl)ethenyl]quinoline-6-carboxylic acid have been investigated experimentally and theoretically using Gaussian09 software package. Potential energy distribution of the normal modes of vibrations was done using GAR2PED program. (1)H NMR chemical shifts calculations were carried out by using B3LYP functional with SDD basis set. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. MEP was performed by the DFT method and the predicted infrared intensities and Raman activities have also been reported. The calculated geometrical parameters are in agreement with that of similar derivatives. The title compound forms a stable complex with PknB as is evident from the binding affinity values and the molecular docking results suggest that the compound might exhibit inhibitory activity against PknB and this may result in development of new anti-tuberculostic agents.
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