Vincetoxicoside B
(Synonyms: 白前苷 B) 目录号 : GC38979Vincetoxicoside B 从 Polygonum paleaceum Wall 中分离出的,具有抗真菌活性。
Cas No.:22007-72-3
Sample solution is provided at 25 µL, 10mM.
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Vincetoxicoside B, isolated from Polygonum paleaceum Wall, shows antifungal activity[1].
[1]. Yang YX, et al. Chemical constituents from the rhizome of Polygonum paleaceum and their antifungal activity. J Asian Nat Prod Res. 2017 Jan;19(1):47-52.
Cas No. | 22007-72-3 | SDF | |
别名 | 白前苷 B | ||
Canonical SMILES | O=C1C(O)=C(C2=CC=C(O)C(O)=C2)OC3=CC(O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)=CC(O)=C13 | ||
分子式 | C21H20O11 | 分子量 | 448.38 |
溶解度 | Soluble in DMSO | 储存条件 | Store at -20°C,protect from light |
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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 | 0.223 mL | 1.1151 mL | 2.2303 mL |
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Chemical constituents from the rhizome of Polygonum paleaceum and their antifungal activity
J Asian Nat Prod Res 2017 Jan;19(1):47-52.PMID:27309618DOI:10.1080/10286020.2016.1196672.
A new compounds neopaleaceolactoside (1), along with nine known compounds phyllocoumarin (2), quercetin (3), quercitrin (4), quercetin-3-methyl ether (5), Vincetoxicoside B (6), isoquercitrin (7), kaempferol (8), (-)-epicatechin (9), and chlorogenic acid (10), was isolated from Polygonum paleaceum Wall. Their chemical structures were established based on one-dimensional and two-dimensional nuclear magnetic resonance techniques, mass spectrometry and by comparison with spectroscopic data reported. Some selected compounds were screened for their antifungal activity. Quercetin (3), Vincetoxicoside B (6), kaempferol (8), and (-)-epicatechin (9) showed synergistic antifungal activities with the FICI values <0.5. A preliminary structure-activity relationship could be observed that free 3-OH in the structure of flavonoids was important for synergistic antifungal activity.
Comparative Computational Screening of Natural-Based Partial Agonists for PPARγ Receptor
Med Chem 2023 Jan 3.PMID:36597601DOI:10.2174/1573406419666230103142021.
Introduction: The nuclear transcription factor PPARγ, which can modulate cell growth via proliferation and apoptosis-related mechanisms, is a promising target in cancer therapy. This study aims to focus on PPARγ as the target and use virtual screening to find hits. Methods: A set of 5,677 flavonoid compounds were filtered by subjecting them to descriptor-based drug-likeness and ADMET strategies to discover drug-like compounds. The candidates' modes of binding to PPARγ were then evaluated using docking and MD simulation. PharmMapper was used to identify the potential targets of selected hits. The pharmacological network was constructed based on the GO and KEGG pathway analysis. Results: In primary screening, 3,057 compounds met various drug-likeness criteria and docked well as partial agonists in the PPARγ-LBD. Five compounds (euchrenone b1, kaempferol-7-O- rhamnoside, Vincetoxicoside B, morusin, and karanjin) were selected with the use of ADMET pro- files for further MD simulation investigation. Based on the PharmMapper findings, 52 proteins were then submitted to GO and KEGG enrichment analysis. As expected by GO and KEGG pathway en- enrichment studies, core targets were enriched in the PI3K-Akt signaling pathway (p < 0.01), indicating that certain chemicals may be involved in cancer processes. Conclusion: Our results suggested that the selected compounds might have sufficient drug-likeness, pharmacokinetics, and in silico bioactivity by acting as PPARγ partial agonists. Although much work remains to illuminate extensive cancer therapeutic/ chemopreventive efficacy of flavonoids in vivo, in silico methodology of our cheminformatics research may be able to provide additional data regarding the efficacy and safety of potential candidates for therapeutic targets.
Simultaneous determination and pharmacokinetic study of eight components in rat plasma by UHPLC-MS/MS after oral administration of Hypericum japonicum Thunb extract
J Pharm Biomed Anal 2016 Jan 25;118:228-234.PMID:26580819DOI:10.1016/j.jpba.2015.10.027.
A rapid and sensitive assay based on ultra high performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) was established and validated for the simultaneous determination of gallic acid, protocatechuic acid, vanillic acid, caffeic acid, epicatechin, isoquercitrin, Vincetoxicoside B and quercetin in rat plasma using catechin and daidzein as the internal standards (IS). Plasma samples added internal standards were acidified with formic acid then pretreated by direct protein precipitation with acetonitrile. The separation of eight constituents was achieved on a C18 column with gradient elution using methanol and 0.2% acetic acid aqueous solution as the mobile phase and detected by multiple reaction monitoring using electrospray ionization source in the positive-negative ionization mode. The method was validated for sufficient specificity, precision, accuracy, and sensitivity over the concentration range of 10-6000 ng mL(-1) for gallic acid, 1.5-3000 ng mL(-1) for protocatechuic acid, 10-15000 ng mL(-1) for vanillic acid, 2-3600 ng mL(-1) for caffeic acid, 1.5-3600 ng mL(-1) for epicatechin, 4-6000 ng mL(-1) for isoquercitrin, 2-9000 ng mL(-1) for Vincetoxicoside B, and 20-18000 ng mL(-1) for quercetin. The overall intra‑run precision and the inter‑run precision were showed in the range of 1.0-14.2% and 2.8-12.9%, respectively, and the accuracy was no more than 12.8%. This analytical method was successfully applied to investigate the pharmacokinetics of eight ingredients in rats after oral administration of Hypericum japonicum Thunb extract.