Physicochemical Properties
| Molecular Formula | C28H32O15 |
| Molecular Weight | 608.5447 |
| Exact Mass | 608.174 |
| CAS # | 38665-01-9 |
| PubChem CID | 14310763 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 930.4±65.0 °C at 760 mmHg |
| Melting Point | 268 °C |
| Flash Point | 306.4±27.8 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.712 |
| LogP | 2.71 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 43 |
| Complexity | 995 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
| InChi Key | VCCNKWWXYVWTLT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3 |
| Chemical Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Synonyms | Neodiosmin; 38665-01-9; RefChem:303377; 7-((2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; 7-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; 7-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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
| Targets | Natural flavonoid glycoside |
| ln Vitro | Structural identification: Neodiosmin is a flavone glycoside isolated from Citrus aurantium leaves. Its chemical structure was confirmed by spectroscopic methods (UV, NMR, and mass spectrometry) . Source: This compound is primarily found in citrus plants and is a natural product with potential pharmacological value . |
| References |
[1]. Neodiosmin, a flavone glycoside of Citrus aurantium. Phytochemistry. Phytochemistry, 1992, 31 (2), 723-724. |
| Additional Infomation |
Neodiosmin has been reported in Citrus maxima with data available.
The flavone neodiosmin (5,7,3′-trihydroxy-4′-methoxyflavone 7β-neohesperidoside) has been isolated and identified from the leaves of Citrus aurantium. 1H and 13C NMR data are given for this compound. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~410.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6433 mL | 8.2164 mL | 16.4328 mL | |
| 5 mM | 0.3287 mL | 1.6433 mL | 3.2866 mL | |
| 10 mM | 0.1643 mL | 0.8216 mL | 1.6433 mL |