| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
(S)-Moluccanin does not have a well-defined molecular target. It exhibits antibacterial and antiviral activities, suggesting that it may interact with bacterial or viral proteins or disrupt cellular processes essential for pathogen survival. The compound's mechanism of action is not well characterized, and specific protein targets have not been identified. Further research is needed to elucidate its molecular targets and mechanisms of action.
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| ln Vitro |
In vitro, (S)-Moluccanin exhibits antibacterial and antiviral activities. It has been evaluated for its potential to inhibit the growth of bacteria and viruses, but specific IC50 or MIC values are not readily available from publicly accessible sources. The compound's activity may be attributed to its phenylpropanoid structure, which is characteristic of many plant-derived antimicrobial compounds. Further studies are needed to characterize its in vitro bioactivity profile.
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| ln Vivo |
In vivo activity of (S)-Moluccanin has not been extensively reported. As a natural product with antibacterial and antiviral activities in vitro, it may have potential for treating infectious diseases in vivo. However, detailed in vivo efficacy data are limited. The compound is not used as a therapeutic agent and has no approved clinical indications.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for (S)-Moluccanin would typically involve screening against a panel of bacterial or viral targets to identify its mechanism of action. Antibacterial activity could be assessed using enzyme inhibition assays targeting bacterial cell wall synthesis, protein synthesis, or DNA replication. Antiviral activity could be assessed using assays for viral protease, polymerase, or entry inhibition. Binding to specific targets could be evaluated using surface plasmon resonance or isothermal titration calorimetry.
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| Cell Assay |
In vitro cell-based assays for (S)-Moluccanin involve culturing bacterial or viral-infected cells and treating them with the compound to assess antimicrobial activity. For antibacterial assays, minimum inhibitory concentrations (MICs) are determined using broth microdilution or agar dilution methods. For antiviral assays, cells are infected with virus and treated with the compound, and viral replication is measured by plaque reduction, qPCR, or other methods. Cytotoxicity is assessed using MTT or CellTiter-Glo assays to distinguish specific antimicrobial activity from general cytotoxicity.
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| Animal Protocol |
In vivo animal studies for (S)-Moluccanin have not been reported in the literature. If conducted, such studies might involve mouse models of bacterial or viral infection, where the compound is administered orally or intraperitoneally and survival, bacterial/viral load, and clinical signs are monitored. Standard models for antibacterial efficacy include mouse peritonitis or pneumonia models. For antiviral efficacy, mouse models of influenza, herpes, or other viral infections may be used. No specific data are available.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of (S)-Moluccanin have not been characterized. As a small molecule with a molecular weight of 386.35 and multiple hydroxyl and methoxy groups, it is expected to have moderate aqueous solubility and may be absorbed orally. The compound would likely undergo extensive metabolism, including glucuronidation and sulfation of hydroxyl groups, and demethylation of methoxy groups. No specific PK data are available.
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| Toxicity/Toxicokinetics |
The toxicity profile of (S)-Moluccanin has not been systematically evaluated. As a natural product, it may have a favorable safety profile, but this has not been confirmed in controlled toxicology studies. Standard toxicology assessments would include acute and sub-chronic toxicity studies in rodents, with endpoints including clinical signs, body weight, clinical pathology, and histopathology. No specific toxicity data are available.
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| References | |
| Additional Infomation |
Reports have indicated that Moluccanin has been detected in Aleurites moluccanus, and relevant data are available for reference.
(S)-Moluccanin is a naturally occurring phenylpropanoid compound isolated from Aleurites moluccana. It has the molecular formula C20H18O8 and a molecular weight of 386.35. The compound exhibits antibacterial and antiviral activities. It is a research compound with potential applications in infectious disease research. (S)-Moluccanin is not approved for clinical use and is available only for research purposes. |
| Molecular Formula |
C20H18O8
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|---|---|
| Molecular Weight |
386.35
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| Exact Mass |
386.1
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| CAS # |
121700-26-3
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| Related CAS # |
Moluccanin;116521-73-4
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| PubChem CID |
91895364
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
619.1±55.0 °C at 760 mmHg
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| Flash Point |
223.3±25.0 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.618
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| LogP |
0.88
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
581
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O1C2C=C3C(C=CC(=O)O3)=CC=2O[C@@H](CO)[C@@H]1C1C=C(C(=C(C=1)OC)O)OC
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| InChi Key |
GBLZBLJGCQTQMB-PXNSSMCTSA-N
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| InChi Code |
InChI=1S/C20H18O8/c1-24-15-6-11(7-16(25-2)19(15)23)20-17(9-21)26-13-5-10-3-4-18(22)27-12(10)8-14(13)28-20/h3-8,17,20-21,23H,9H2,1-2H3/t17-,20-/m0/s1
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| Chemical Name |
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
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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 |
| 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 | 2.5883 mL | 12.9416 mL | 25.8833 mL | |
| 5 mM | 0.5177 mL | 2.5883 mL | 5.1767 mL | |
| 10 mM | 0.2588 mL | 1.2942 mL | 2.5883 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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