Physicochemical Properties
| Molecular Formula | C15H16O9 |
| Molecular Weight | 340.28 |
| Exact Mass | 340.079 |
| CAS # | 531-58-8 |
| PubChem CID | 442101 |
| Appearance | White to off-white solid powder |
| Density | 1.679±0.06 g/cm3(Predicted) |
| Boiling Point | 697.7±55.0 °C(Predicted) |
| Melting Point | 213-215 °C |
| LogP | -0.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 24 |
| Complexity | 495 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChi Key | WNBCMONIPIJTSB-TVKJYDDYSA-N |
| InChi Code | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 |
| Chemical Name | 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Rivero-Segura NA, Gomez-Verjan JC. In Silico Screening of Natural Products Isolated from Mexican Herbal Medicines against COVID-19. Biomolecules. 2021;11(2):216. Published 2021 Feb 4. |
| Additional Infomation |
Cichoriin is a glycoside and a member of coumarins. Cichoriin has been reported in Fraxinus insularis, Chondrilla juncea, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (293.88 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.35 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.35 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.35 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9388 mL | 14.6938 mL | 29.3876 mL | |
| 5 mM | 0.5878 mL | 2.9388 mL | 5.8775 mL | |
| 10 mM | 0.2939 mL | 1.4694 mL | 2.9388 mL |