Hedysarimcoumestan BCAS# 899436-04-5 |
Quality Control & MSDS
3D structure
Package In Stock
Number of papers citing our products
| Cas No. | 899436-04-5 | SDF | Download SDF |
| PubChem ID | 11558452.0 | Appearance | Powder |
| Formula | C16H10O6 | M.Wt | 298.25 |
| Type of Compound | Phenols | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 1,3-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one | ||
| SMILES | COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O | ||
| Standard InChIKey | AAKHRTZXSZBLFQ-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C16H10O6/c1-20-8-2-3-9-11(6-8)21-15-13(9)16(19)22-12-5-7(17)4-10(18)14(12)15/h2-6,17-18H,1H3 | ||
| 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. | ||
Hedysarimcoumestan B Dilution Calculator
Hedysarimcoumestan B Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.3529 mL | 16.7645 mL | 33.5289 mL | 67.0578 mL | 83.8223 mL |
| 5 mM | 0.6706 mL | 3.3529 mL | 6.7058 mL | 13.4116 mL | 16.7645 mL |
| 10 mM | 0.3353 mL | 1.6764 mL | 3.3529 mL | 6.7058 mL | 8.3822 mL |
| 50 mM | 0.0671 mL | 0.3353 mL | 0.6706 mL | 1.3412 mL | 1.6764 mL |
| 100 mM | 0.0335 mL | 0.1676 mL | 0.3353 mL | 0.6706 mL | 0.8382 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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Potential Leads from Liquorice Against SARS-CoV-2 Main Protease using Molecular Docking Simulation Studies.[Pubmed:32807047]
Comb Chem High Throughput Screen. 2021;24(4):591-597.
AIM AND OBJECTIVE: At present, the world is facing a global pandemic threat of SARSCoV- 2 or COVID-19 and to date, there are no clinically approved vaccines or antiviral drugs available for the treatment of coronavirus infections. Studies conducted in China recommended the use of liquorice (Glycyrrhiza species), an integral medicinal herb of traditional Chinese medicine, in the deactivation of COVID-19. Therefore, the present investigation was undertaken to identify the leads from the liquorice plant against COVID-19 using molecular docking simulation studies. MATERIALS AND METHODS: A set of reported bioactive compounds of liquorice were investigated for COVID-19 main protease (M(pro)) inhibitory potential. The study was conducted on Autodock vina software using COVID-19 M(pro) as a target protein having PDB ID: 6LU7. RESULTS: Out of the total 20 docked compounds, only six compounds showed the best affinity towards the protein target, which included glycyrrhizic acid, isoliquiritin apioside, glyasperin A, liquiritin, 1-methoxyphaseollidin and Hedysarimcoumestan B. From the overall observation, glycyrrhizic acid followed by isoliquiritin apioside demonstrated the best affinity towards M(pro) representing the binding energy of -8.6 and -7.9 Kcal/mol, respectively. Nevertheless, the other four compounds were also quite comparable with the later one. CONCLUSION: From the present investigation, we conclude that the compounds having oxane ring and chromenone ring substituted with hydroxyl 3-methylbut-2-enyl group could be the best alternative for the development of new leads from liquorice plant against COVID-19.
