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| Targets |
Spasmolytic targets; antimicrobial targets. 3'-O-Methylbatatasin III exhibits spasmolytic activity, suggesting interactions with smooth muscle receptors or ion channels involved in muscle contraction. The compound also shows antibiotic and antifungal activities, indicating interactions with microbial targets. As a stilbenoid structurally related to resveratrol, it may also have antioxidant and anti-inflammatory activities through modulation of various signaling pathways. The compound's mechanism of action may involve modulation of calcium channels, inhibition of microbial enzymes, or disruption of microbial cell membranes.
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| ln Vitro |
3'-O-Methylbatatasin III shows spasmolytic activity. The compound exhibits antibiotic activity and antispasmodic activity. It also exhibits antifungal activity. As a stilbenoid structurally related to resveratrol, it may also have antioxidant, anti-inflammatory, and anticancer activities, although specific data for this compound are limited. The compound's specific in vitro activities depend on the concentrations tested and the assay systems used. Further studies are needed to fully characterize its activity profile.
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| ln Vivo |
In vivo studies of 3'-O-methylbatatasin III are limited. As a natural stilbenoid with spasmolytic, antibiotic, and antifungal activities, it may have potential applications in the treatment of smooth muscle disorders and infectious diseases. The compound's structural similarity to resveratrol suggests potential benefits in cardiovascular and inflammatory conditions. Further in vivo studies are needed to characterize its specific pharmacokinetic and pharmacodynamic properties, as well as its efficacy and safety profile.
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| Enzyme Assay |
Non-cell-based assays for 3'-O-methylbatatasin III include spasmolytic activity assessment using isolated smooth muscle preparations in organ baths. The compound is tested for its ability to relax pre-contracted smooth muscle tissues. Antimicrobial activity is assessed by broth microdilution for MIC determination against bacterial and fungal strains. Antioxidant activity is assessed using DPPH, ABTS, or FRAP assays. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment.
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| Cell Assay |
Cell-based assays for 3'-O-methylbatatasin III use various cell lines to assess its biological activities. For spasmolytic studies, smooth muscle cells can be used to study effects on calcium signaling and contraction. For antimicrobial studies, bacterial or fungal cultures are treated with the compound and growth inhibition is measured. For antioxidant studies, cells are exposed to oxidative stress inducers and treated with the compound, and intracellular ROS levels are measured. Cytotoxicity is assessed using standard cell viability assays.
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| Animal Protocol |
In vivo studies of 3'-O-methylbatatasin III are limited. Based on its biological activities, potential animal models include: models of smooth muscle spasm for spasmolytic evaluation; and infection models for antimicrobial evaluation. Standard protocols for these models involve administration of the compound followed by measurement of relevant endpoints. Further studies are needed to establish the compound's in vivo efficacy and safety.
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| ADME/Pharmacokinetics |
3'-O-Methylbatatasin III has a molecular formula of C₁₆H₁₈O₃ and a molecular weight of 258.31 g/mol. The CAS number is 101330-69-2. The compound is a stilbenoid structurally related to resveratrol, primarily isolated from orchid plants such as Vanda, Dendrobium, and Bletilla splendens. It is soluble in chloroform, dichloromethane, ethyl acetate, DMSO, and acetone. Purity is typically ≥95-98%. It should be stored desiccated at -20°C.
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| Toxicity/Toxicokinetics |
Specific toxicity data for 3'-O-methylbatatasin III are limited. As a natural stilbenoid, it is generally considered to have low toxicity. However, comprehensive toxicological studies have not been reported. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment. It is intended for research use only.
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| References | |
| Additional Infomation |
3'-O-methylbatatacin III is a stilbene compound. It has been reported in Pleione bulbocodioides, Gymnadenia conopsea, and other organisms with relevant data.
3'-O-Methylbatatasin III is a naturally occurring stilbenoid compound, structurally related to resveratrol, primarily isolated from plants such as Vanda, Dendrobium, and Bletilla splendens (orchid) species. Stilbenoids are a class of polyphenolic compounds known for their diverse biological activities, including antioxidant, anti-inflammatory, anticancer, and antimicrobial effects. 3'-O-Methylbatatasin III exhibits spasmolytic activity, antibiotic activity, and antifungal activity. It is used as a research tool for studying the biological activities of stilbenoids and their potential therapeutic applications. It is for research use only. |
| Molecular Formula |
C16H18O3
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|---|---|
| Molecular Weight |
258.31
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| Exact Mass |
258.126
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| CAS # |
101330-69-2
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| PubChem CID |
442711
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| Appearance |
White to off-white solid
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| LogP |
3.194
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
19
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| Complexity |
256
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)O
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| InChi Key |
FDJURJXPMJANDW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3
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| Chemical Name |
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
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| Synonyms |
3'-O-Methylbatatasin III
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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: ≥ 100 mg/mL (387.13 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (9.68 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (9.68 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (9.68 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8713 mL | 19.3566 mL | 38.7132 mL | |
| 5 mM | 0.7743 mL | 3.8713 mL | 7.7426 mL | |
| 10 mM | 0.3871 mL | 1.9357 mL | 3.8713 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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