| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Natural flavonoid
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|---|---|
| ln Vitro |
The crystal structure of monohydrated trifolin (kaempferol 3-O-β-D-galactopyranoside) (an important biologically active compound, which was isolated from the aerial part of Consolida oliveriana) has been determined from conventional laboratory X-ray powder diffraction data. Variable counting time technique was used during measurement and crystal structure was solved by means of Monte Carlo algorithm. The final structure was achieved by Rietveld refinement using both constraints and restraints on interatomic bond lengths and angles [1].
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| References | |
| Additional Infomation |
Kaempferol-3-O-β-D-galactoside is a β-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl terminal group. It is a plant metabolite and antifungal agent. It is a β-D-galactoside, a monosaccharide derivative, a glycosyloxyflavonoid, and a trihydroxyflavonoid. Its function is related to kaempferol. It is the conjugate acid of kaempferol-3-O-β-D-galactoside (1-). It has been reported to be present in tea (Camellia sinensis), creeping algae (Crassocephalum crepidioides), and other organisms with relevant data. Discussion: Figure 3 shows the Oak Ridge thermal ellipsoid plot of the monohydrated cloverin molecule. The cloverin molecule consists of an almost coplanar benzopyran moiety (with a dihedral angle of 0.71(15)° between the benzene ring and the pyran ring plane), a planar benzene ring rotated 10.68(13)° relative to the plane of the benzopyran ring system, and a galactoside ring in a 4C1 chair conformation, with the benzopyran moiety acting as a substituent at the C1″ position. Bond length…[1]
Conclusion: In this study, we determined the structure of the monohydrated cloverin compound using conventional laboratory X-ray powder diffraction data and the VCT procedure during the measurement process. This enabled us to determine the structure using the Monte Carlo method and refine the model using the Rietveld method. In recent years, algorithms for resolving crystal structures using powder diffraction data have made progress, making it easier for us to handle the study of novel structures of compounds containing only…[1]. |
| Molecular Formula |
C21H20O11
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|---|---|
| Molecular Weight |
448.38
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| Exact Mass |
448.1
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| Elemental Analysis |
C, 56.25; H, 4.50; O, 39.25
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| CAS # |
23627-87-4
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| PubChem CID |
5282149
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
823.2±65.0 °C at 760 mmHg
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| Melting Point |
235 °C
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| Flash Point |
291.6±27.8 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.774
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| Source |
Originated from plants: other families
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| LogP |
1.95
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
719
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| Defined Atom Stereocenter Count |
5
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| SMILES |
O1C([H])([C@@]([H])([C@]([H])([C@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1C(C2=C(C([H])=C(C([H])=C2OC=1C1C([H])=C([H])C(=C([H])C=1[H])O[H])O[H])O[H])=O
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| InChi Key |
JPUKWEQWGBDDQB-DTGCRPNFSA-N
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| InChi Code |
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1
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| Chemical Name |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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| Synonyms |
Kaempferol 3-O-galactoside; Kaempferol-3-O-galactoside; 23627-87-4; Kaempferol 3-galactoside; Kaempferol 3-O-beta-D-galactoside; trifoliin; CHEBI:31742; KAEMPFEROL 3-O-GALACTOSIDE; Trifolin
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: ~25 mg/mL (~55.8 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.79 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (2.79 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2303 mL | 11.1513 mL | 22.3025 mL | |
| 5 mM | 0.4461 mL | 2.2303 mL | 4.4605 mL | |
| 10 mM | 0.2230 mL | 1.1151 mL | 2.2303 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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