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| Targets |
4-O-beta-Glucopyranosyl-cis-coumaric acid does not have a specific characterized molecular target as a therapeutic agent. As a natural phenolic glycoside, it exhibits antioxidant activity, likely through scavenging reactive oxygen species (ROS) and modulating redox signaling. Its anti-inflammatory properties may involve inhibition of inflammatory mediators or signaling pathways. The compound may also exhibit antimicrobial activity through disruption of microbial cell membranes or inhibition of essential microbial enzymes.
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| ln Vitro |
4-O-beta-Glucopyranosyl-cis-coumaric acid is a naturally occurring phenolic glucoside found in Nelumbo nucifera Gaertn. It consists of a cis-coumaric acid moiety linked via a glycosidic bond to a β-D-glucopyranose unit. The compound has a molecular weight of 326.30 and formula C15H18O8. It exhibits antioxidant, anti-inflammatory, and potential antimicrobial activities. As a secondary metabolite, it contributes to the defense mechanisms of the plants in which it is found.
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| ln Vivo |
No specific in vivo activity data are documented for 4-O-beta-Glucopyranosyl-cis-coumaric acid. As a natural product with antioxidant and anti-inflammatory properties, it has potential for in vivo efficacy in models of oxidative stress, inflammation, and infection. Further in vivo studies including pharmacokinetics and efficacy in animal models would be valuable for therapeutic development. The compound's natural origin suggests it may be well-tolerated.
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| Enzyme Assay |
In vitro antioxidant assays are commonly used to evaluate 4-O-beta-Glucopyranosyl-cis-coumaric acid. The DPPH radical scavenging assay involves incubating varying concentrations of the compound with DPPH solution (0.1 mM in ethanol) for 30 minutes at room temperature. The decrease in absorbance at 517 nm is measured. ABTS radical scavenging, FRAP, and ORAC assays can also be performed. For anti-inflammatory activity, enzyme assays measuring COX-2 or LOX inhibition may be conducted. For antimicrobial activity, broth microdilution assays are used to determine minimum inhibitory concentrations (MIC) against test organisms.
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| Cell Assay |
Cell-based assays for 4-O-beta-Glucopyranosyl-cis-coumaric acid include evaluation of antioxidant, anti-inflammatory, and antimicrobial effects. For antioxidant activity, cells are pre-treated with the compound and then exposed to oxidative stress (e.g., H₂O₂). ROS levels are measured using fluorescent probes such as DCFH-DA. For anti-inflammatory activity, macrophages (e.g., RAW 264.7) are treated with the compound prior to LPS stimulation; inflammatory markers such as NO, TNF-α, and IL-6 are measured. For antimicrobial activity, infected cells or bacterial cultures are treated with the compound, and microbial growth or viability is assessed.
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| Animal Protocol |
No specific in vivo animal models are documented for 4-O-beta-Glucopyranosyl-cis-coumaric acid. For potential in vivo studies, the compound could be administered orally or intraperitoneally to rodents in models of inflammation, oxidative stress, or infection. Doses would be selected based on preliminary pharmacokinetic and tolerability assessments. Endpoints may include inflammatory cytokine levels, oxidative stress markers, microbial load, and tissue histology. The compound's natural origin suggests it may be suitable for oral administration.
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| ADME/Pharmacokinetics |
4-O-beta-Glucopyranosyl-cis-coumaric acid has a molecular weight of 326.30 and molecular formula C15H18O8. As a glycoside, the compound is relatively hydrophilic and may have limited oral bioavailability due to poor membrane permeability. Glycosides are typically metabolized by gut microbiota to release the aglycone, which may be absorbed. The compound should be stored as powder under appropriate conditions. Solubility in aqueous and organic solvents should be determined experimentally. Further PK studies would be necessary for in vivo applications.
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| Toxicity/Toxicokinetics |
No specific toxicity data are documented for 4-O-beta-Glucopyranosyl-cis-coumaric acid. As a natural compound found in edible plants (Nelumbo nucifera, lotus), it is expected to have low toxicity. However, systematic toxicity studies including acute toxicity, subchronic toxicity, genotoxicity, and organ-specific toxicity would be required for therapeutic development. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling the compound.
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| Additional Infomation |
4'-O-β-D-glucosyl-cis-p-coumaric acid is a 4-O-β-D-glucosyl-4-coumaric acid. It is the conjugate acid of 4'-O-β-D-glucosyl-cis-p-coumaric acid ester. It has been reported to be found in Acanthus ilicifolius, Breynia rostrata, and other organisms with relevant data.
4-O-beta-Glucopyranosyl-cis-coumaric acid is also known as coumaric acid-4-glucoside. It is a naturally occurring phenolic glucoside found in Nelumbo nucifera Gaertn (lotus). The compound consists of a cis-coumaric acid moiety linked via a glycosidic bond to a β-D-glucopyranose unit. It exhibits antioxidant, anti-inflammatory, and potential antimicrobial activities. The compound is a secondary metabolite and contributes to the defense mechanisms of plants. It is intended for research use only. |
| Molecular Formula |
C15H18O8
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|---|---|
| Molecular Weight |
326.2986
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| Exact Mass |
326.1
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| CAS # |
117405-48-8
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| PubChem CID |
10604651
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
631.4±55.0 °C(Predicted)
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| LogP |
0.1
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
23
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| Complexity |
418
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C1=CC(=CC=C1/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
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| InChi Key |
LJFYQZQUAULRDF-LSSWKVNRSA-N
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| InChi Code |
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3-/t10-,12-,13+,14-,15-/m1/s1
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| Chemical Name |
(Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0647 mL | 15.3233 mL | 30.6466 mL | |
| 5 mM | 0.6129 mL | 3.0647 mL | 6.1293 mL | |
| 10 mM | 0.3065 mL | 1.5323 mL | 3.0647 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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