Heterocyclic Building Block-benzofuran

Simultaneously targeted and untargeted multicomponent characterization of Erzhi Pill by offline two-dimensional liquid chromatography/quadrupole-orbitrap mass spectrometry was written by Fu, Ling-ling;Ding, Hui;Han, Li-feng;Jia, Li;Yang, Wen-zhi;Zhang, Chun-xia;Hu, Ying;Zuo, Tian-tian;Gao, Xiu-mei;Guo, De-an. And the article was included in Journal of Chromatography A in 2019.Quality Control of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one The following contents are mentioned in the article:

Large-scale targeted and untargeted metabolites characterization can be achieved by feat of different liquid chromatog./mass spectrometry (LC-MS) platforms by multiple MS experiments or using data-independent acquisition followed by precursor-product ions matching based on certain algorithms. The resulting insufficiency in efficiency and availability greatly restricts the applicability of these strategies in large-scale profiling and identification of various metabolites. A strategy simultaneously enabling both the targeted and untargeted metabolites characterization is established on a Q Exactive hybrid quadrupole-Orbitrap mass spectrometer, by integrating precursor ions list-triggered data-dependent MS² acquisition (PIL/dd-MS²) of the targeted components and using the “If idle-pick others” (IIPO) function to induce untargeted metabolites fragmentation. A compounds-specific mass defect filter (MDF) algorithm is proposed as a method to generate the PIL. As a proof of concept, this strategy coupled with offline two-dimensional liquid chromatog. (2D-LC) was applied to identify the multicomponents of a traditional Chinese medicine formula Erzhi Pill (EZP). A rigid MDF vehicle was elaborated by orthogonal screening of the integer mass and integer mass-dependent dynamic mass defects considering a variation of 20 ppm. The Full MS/dd-MS² method enabling PIL and IIPO exhibited better performance than Full MS/dd-MS² and Targeted SIM/dd-MS² (selected ion monitoring) in respect of the sensitivity in identifying the targeted components and the ability to characterize more untargeted ones. As a consequence, 270 components were separated from EZP, and 146 thereof were selectively characterized. In conclusion, it is a practical, multifaced strategy facilitating the in-depth metabolites profiling and characterization of complex herbal and biol. samples. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Quality Control of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofurans are only weakly aromatic in nature and they are cleaved by many oxidative and reductive conditions. As benzofurans are prone to undergo ring opening of the heterocycle, examples of reduction of this type of aromatics by using dissolving metals are rather scarce.Quality Control of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Phytochemical wedelolactone reverses obesity by prompting adipose browning through SIRT1/AMPK/ PPARα pathway via targeting nicotinamide N-methyltransferase was written by Yao, Enhui;Yang, Xiazhen;Huang, Xuefeng;Mi, Yuchen;Wu, Xiaoqian;Fang, Meijuan;Huang, Jinhua;Qiu, Yan;Hong, Xiaoting;Peng, Lu;Ren, Jie;Huang, Rui;Chen, Caixia;Yang, Lichao;Zhou, Yu;Zhuo, Rengong;Jin, Xin;Zhao, Yun. And the article was included in Phytomedicine in 2022.Computed Properties of C16H10O7 The following contents are mentioned in the article:

Obesity is the cause of multiple metabolic disorders, and its incidence has been rapidly increasing worldwide. It develops when energy intake exceeds energy expenditure (EE). Wedelolactone (WDL) is a naturally isolated compound from Eclipta prostrata L. and possesses many pharmacol. activities. However, little is known about the effect of WDL on obesity and EE. The present study aimed to investigate the effect of WDL on obesity and EE in diet-induced obese (DIO) mice and its underlying mechanism. Obese mice were induced by high fat diet. The effects of WDL on obese mice were assessed by examining body weight, fat mass, EE, glucose tolerance, and hepatic and kidney injury. 3T3-L1 cells were differentiated into mature adipocytes and incubated with WDL in vitro. Immunohistochem., western blotting, and real-time PCR were used to assess adipose browning. The inhibitory efficiency of WDL on nicotinamide N-methyltransferase (NNMT) was evaluated using a fluorescence assay. WDL reduced fat mass, suppressed body weight gain, and improved obesity-related metabolic disorders in DIO mice. WDL treatment promoted adipose browning and enhanced EE in both DIO mice and 3T3-L1 cells. These effects were eliminated in AMPK antagonized or PPARα knockdown cells and in PPARα-/- mice. Furthermore, we identified the target of WDL to be NNMT, an appealing target for regulating energy metabolism WDL inhibited NNMT with an extremely low IC50 of 0.03μM. Inhibition of NNMT and activation of SIRT1/AMPK/PPARα explains how WDL reverses obesity by prompting adipose browning. Our findings demonstrate the novel effects of WDL in promoting adipose browning, enhancing EE and attenuating obesity and uncover the underlying mechanism, which includes inhibition of NNMT and subsequently activation of SIRT1/AMPK/PPARα in response to WDL. WDL could be further developed as a therapeutic agent for treating obesity and related metabolic diseases. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Computed Properties of C16H10O7).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran derivatives are one of the most important oxygen-containing heterocycles. Introduction of benzofurans in organic synthesis, particularly drug synthesis, involves generally the use of their metalated species as nucleophiles in addition reactions or in metal-catalysed cross-coupling reactions.Computed Properties of C16H10O7

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Discovery of potential active ingredients of Er-Zhi-Wan, a famous traditional Chinese formulation, in model rat serum for treating osteoporosis with kidney-yin deficiency by UPLC-Q/TOF-MS and molecular docking was written by Gao, Mengting;Xue, Xin;Zhang, Xuemeng;Chang, Yueyue;Zhang, Qiulan;Li, Xin;Wang, Yifei;Zhang, Li;Li, Zhipeng;Dong, Haijuan;Wang, Wei;Yao, Weifeng. And the article was included in Journal of Chromatography B in 2022.COA of Formula: C16H10O7 The following contents are mentioned in the article:

Er-Zhi-Wan (EZW), a classical traditional Chinese formulation, has attracted more and more attention. This study was carried out to analyze the constituents of EZW absorbed into blood and find out the potential active ingredients for treating osteoporosis (OP) with kidney-yin deficiency (KYD). The rat model of OP with KYD was achieved by ovariectomies and using the mixture of thyroxine and reserpine. Then ultra-high performance liquid chromatog. coupled with a quadrupole time-of-flight mass spectrometer (UPLC-Q/TOF-MS) combined with statistical anal. was used to analyze the constituents of EZW absorbed into blood and differential components between the normal and OP with KYD rats. Finally, the components identified in OP with KYD rats were docked with targets of OP with KYD found in online databases. The results of mol. docking were adopted to find the potential active ingredients and further verified in vitro experiment A total of 21 prototype compounds and 69 metabolites were identified in serum. Among them, 63 components in model rats and 50 components in normal rats were summarized, resp. Most of the identified metabolites in serum of model rats were produced by hydrolysis, oxidation or glucuronidation, while in serum of normal rats were produced by hydrolysis, oxidation and methylation. According to the results of mol. docking, specnuezhenide, salidroside, tyrosol, echinacoside and verbascoside could be classified as potential active ingredients. The activity of salidroside and a metabolite was verified by pharmacodynamics anal. In summary, UPLC-Q/TOF-MS system was combined with mol. docking to search the potential active ingredients from model rats of OP with KYD, which provided a new idea for the research on the pharmacodynamic material basis of other traditional medicine. Moreover, the result of this study lays the foundation for further study regarding the mechanism of EZW in treating OP with KYD. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9COA of Formula: C16H10O7).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran is a core structural unit found in many naturally occurring compounds with multidirectional biological activities. Benzofurans are stable towards alkali and readily polymerize on treatment with sulfuric acid, due to which they are useful for the preparation of low cost chemically relatively inert resins.COA of Formula: C16H10O7

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Early selective strategies for higher yielding bio-economic Indian ginseng based on genotypic study through metabolic and molecular markers was written by Chauhan, Surya;Mandliya, Trapti;Jain, Devendra;Joshi, Arunabh;Khatik, Champa Lal;Singh, Abhijeet;Upadhyay, Sudhir K.;Jain, Rohit. And the article was included in Saudi Journal of Biological Sciences in 2022.Safety of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one The following contents are mentioned in the article:

Applying biotechnol. tools to the selection of higher-yielding bioeconomic crops is a promising and remarkable means of reducing the burden on production on a global scale. In the present study, 25 germplasms of Indian ginseng (Withania somnifera (L.) Dunal) were examined for their genetic diversity by using morphol., biochem., and mol. markers for twenty plant growth traits. The properties of plant growth differed significantly in the maximum genotypes of Indian ginseng, the markers of randomly amplified polymorphic DNA (RAPD), and inter simple sequence repeat (ISSR) showed considerable diversity between the genotypes. The combined unweighted pair group technique with arithmetic mean (UPGMA) dendrogram of morphol., biochem., and mol. markers grouped all 25 genotypes into two main clusters at 0.61 coefficient value. In addition to this, secondary metabolite profiling by high-performance liquid chromatog. (HPLC), there were high variations for withanolide B (WL-B), withanoside-V (WS-V), wedelolactone (WDL), withanoside-IV (WS-IV), and withaferin A (WF-A) content between different genotypes. For the total alkaloid and withanolide concentration in the roots and leaves, high heritability with an increased genetic gain was observed, indicating that selection based on these traits could be an effective method in breeding programs. Furthermore, the path coefficient anal. showed a direct pos. impact of the total root fiber, WL-B (leaves), WF-A (leaves), WS-IV (roots), WDL (roots), and the total alkaloid content on the dry root yield. High content of WDL, a high-quality bioactive withanolide, was also described for the first time in the genotype UWS23. These properties can further be exploited to improve the dry root yield in W. somnifera genotypes. The outcomes of the present study also provide an essential foundation for the selection of high-yielding bioeconomic varieties that could be utilized to improve Ashwagandha breeding programs. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Safety of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran is the “”parent”” of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. Benzofurans have also made significant and distinctive contributions to biology. They exhibit several biological activities that range from antiviral, antimicrobial, antitumor, anti-inflammatory.Safety of 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Effect and mechanism of wedelolactone as antioxidant-coumestan on ^·OH-treated mesenchymal stem cells was written by Li, Xican;Wang, Tingting;Liu, Jingjing;Liu, Yulong;Zhang, Jun;Lin, Jian;Zhao, Zhongxiang;Chen, Dongfeng. And the article was included in Arabian Journal of Chemistry in 2020.Related Products of 524-12-9 The following contents are mentioned in the article:

The antioxidant properties of coumestans have been investigated previously using inappropriate methods, which has resulted in misleading and inaccurate mechanisms being reported to account for their antioxidant behavior. In this study, the phenolic coumestan wedelolactone increased the viability of ^·OH-treated mesenchymal stem cells (MSCs) in a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl assay. Mechanistic anal. in vitro suggested that wedelolactone could scavenge various radicals, including ^·OH, ^·O^–₂, 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) and 1,1-diphenyl-2-picrylhydrazyl (DPPH^·) radicals, as well as reducing Cu²⁺ and chelating Fe²⁺. Configuration anal. based on a ball and stick model indicated that the 3′,4′-catechol moiety of wedelolactone was acting as an Fe²⁺-chelating site. The main product of the reaction between wedelolactone and DPPH^· was analyzed by ultra-performance liquid chromatog. electrospray ionization quadrupole time-of-flight tandem mass spectrometry, which gave a mass ion with an m/z value of 709. This peak yielded several fragments with m/z values of 663, 543, 501 and 483. Quant. evaluation revealed that the antioxidant activity of wedelolactone was 1.62 times higher than that of Trolox. Based on these results, we concluded that (i) wedelolactone can efficiently protect MSCs against ^·OH-induced damage and that this protective effect provides preliminary evidence for the application of wedelolactone in transplantation of MSCs (especially for osteoporosis); (ii) the main antioxidant mechanism of wedelolactone involves direct radical-scavenging via a single electron transfer (SET) → radical adduct formation (RAF) pathway, whereas the Fe²⁺-chelating activity of wedelolactone represents a minor pathway; and (iii) the direct radical-scavenging and Fe²⁺-chelating pathways can both be attributed to the catechol moiety rather than the coumestan skeleton. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Related Products of 524-12-9).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran derivatives have shown many biological activities, including antifungal and antimicrobial properties, and acting as antagonists of H3 receptors and angiotensin II. In nature, benzofurans have occupied an important role among the plant phenols & several pharmacologically active compounds.Related Products of 524-12-9

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The combined effect of oleonuezhenide and wedelolactone on proliferation and osteoblastogenesis of bone marrow mesenchymal stem cells was written by Deng, Xue;Tan, Suming;Zhu, Di;Sun, Yujiao;Yu, Jinghua;Meng, Xiangling;Zheng, Luping;Liu, Yanqiu. And the article was included in Phytomedicine in 2019.Recommanded Product: 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one The following contents are mentioned in the article:

Regulation of the survival and differentiation of bone marrow mesenchymal stem cells is an essential consideration in the development of targeted drugs for treatment of osteoporosis. The present study aimed to evaluate the combined effect of wedelolactone and oleonuezhenide, two compounds from Chinese formula Er-Zhi-Wan, on osteoblastogenesis and the underlying mol. mechanisms. MTT assay was taken to evaluate cell proliferation. The alk. phosphatase (ALP) activity assay was used to determine the activity of ALP. Alizarin red S (ARS) staining was taken to indicate the intensity of the calcium deposits. Quant. real-time PCR and Western blot were performed to the levels of Runx2, Osteocalcin, and Osterix expression in mouse bone marrow mesenchymal stem cells (BMSCs). Ovariectomized mouse model and bone histomorphometric anal. were also used to research the effects of wedelolactone and oleonuezhenide on bone loss caused by ovariectomy. Wedelolactone combined with oleonuezhenide enhanced osteoblast differentiation and bone mineralization. Osteoblastogenesis-related marker genes including osteocalcin, Runx2, and osteorix were upregulated in the presence of wedelolactone and oleonuezhenide. At the mol. level, oleonuezhenide did not affect GSK-3β phosphorylation induced by wedelolactone, but elevated casein kinase 2-alpha (CK2α) expression, resulting in β-catenin and Runx2 nuclear translocation. In addition, 30μM wedelolactone-induced cytotoxicity in bone marrow mesenchymal stem cells was relieved by 9μM oleonuezhenide. These cells were protected by oleonuezhenide and maintained osteoblastic activity. Oleonuezhenide increased Wnt5a and CK2α expression. Wedelolactone-reduced extracellular signal-regulated kinase (ERK) phosphorylation was reversed by oleonuezhenide. In ovariectomized mice, administration of wedelolactone and oleonuezhenide prevented ovariectomy-induced bone loss by enhancing osteoblastic activity. These results suggested that oleonuezhenide enhanced the effects of wedelolactone on osteoblastogenesis. These two compounds could be developed as a combined therapeutic agent for osteoporosis. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Recommanded Product: 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofurans are compounds with a planar structure having 10 pi electrons that include the lone pair on oxygen atom, which makes it more susceptible to electrophilic attack. They are also prone to polymerisation in the presence of concentrated mineral acids and Lewis acids.Recommanded Product: 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Effect of wedelolactone and gallic acid on quinolinic acid-induced neurotoxicity and impaired motor function: significance to sporadic amyotrophic lateral sclerosis was written by S, Maya;T, Prakash;Goli, Divakar. And the article was included in NeuroToxicology in 2018.Reference of 524-12-9 The following contents are mentioned in the article:

Quinolinic acid (QUIN) is a well-known neuroactive metabolite of tryptophan degradation pathway or kynurenine pathway. The QUIN is involved in the development of several toxic cascades which leads to the neuronal degeneration processes. The QUIN-induced toxicity is also responsible for the impairment of the motor function and motor learning ability. This study seeks to investigate the several mechanisms which are involved in the intrastriatal administration of QUIN-induced neurodegeneration and the neuroprotective effects of wedelolactone (WL) and gallic acid (GA) over QUIN-induced toxicity. The Wistar rats were used for the study and conducted behavioral model to evaluate the effects of WL (100 & 200 mg/kg) and GA (100 & 200 mg/kg) on impaired motor function and motor learning ability. We also assessed the effects of WL and GA on the antioxidant profile, cytotoxicity, apoptosis, excitotoxicity, inflammatory cascades, and on growth factors which helps in neurogenesis. The compounds effectively improved the motor function, motor learning memory in the rats. Similarly, enhanced the activity of Glutathione peroxidase, SOD, catalase, and declined the lipid peroxidation and nitrite production in the brain. The treatment with WL and GA lowered the activities of LDH, m-calpain, and caspase-3. The reports strongly support that both compounds are useful in the prevention of glutamate excitotoxicity induced by QUIN. The NAA, IGF-1, and VEGF levels in the brain were improved after treatment with WL and GA. The neuroprotective effects of WL and GA further proved through the anti-inflammatory effects. The compounds significantly down-regulated the expression of TNF-α, IL-6, and IL-β in the brain. Immunohistochem. anal. shows that the WL and GA reduced the expression of NF-κB. The histopathol. studies for cerebellum, hippocampus, striatum, and spinal cord confirms the toxic effects of QUIN and neuroprotective effects of WL and GA. The results suggest that WL and GA could ameliorate the toxic events triggered by QUIN and might be effective in the prevention and progression of several cascades which lead to the development of sALS. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Reference of 524-12-9).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran derivatives are one of the most important oxygen-containing heterocycles. Benzofurans have also made significant and distinctive contributions to biology. They exhibit several biological activities that range from antiviral, antimicrobial, antitumor, anti-inflammatory.Reference of 524-12-9

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Enhanced Accumulation of Cisplatin in Ovarian Cancer Cells from Combination with Wedelolactone and Resulting Inhibition of Multiple Epigenetic Drivers. was written by Sarwar, Sadia;Alamro, Abir A;Alghamdi, Amani A;Naeem, Komal;Ullah, Salamat;Arif, Muazzam;Yu, Jun Qing;Huq, Fazlul. And the article was included in Drug design, development and therapy in 2021.HPLC of Formula: 524-12-9 The following contents are mentioned in the article:

PURPOSE: Cisplatin resistance is a major concern in ovarian cancer treatment. The aim of this study was to investigate if wedelolactone could perform better in resistant ovarian cancer cells when used in combination with cisplatin. METHODS: Growth inhibitory potential of wedelolactone and cisplatin was investigated through MTT reduction assay in ovarian cancer cell lines including A2780 (sensitive), A2780^cisR (cisplatin resistant) and A2780^ZD0473R. Resistance factor (RF) of drugs was determined in these three cell lines. Combination index (CI) was calculated as a measure of combined drug action. Effect of this combination on changes in the cellular accumulation of platinum levels and platinum-DNA binding was also determined in vitro using AutoDock Vina while the effect of wedelolactone on inhibition of possible key culprits of resistance including Chk1, CD73, AT tip60, Nrf2, Brd1, PCAF, IGF1, mTOR1 and HIF2α was investigated in silico. RESULTS: Cisplatin and wedelolactone showed a dose-dependent growth inhibitory effect. RF value of wedelolactone was 1.1 in the case of A2780^cisR showing its potential to bring more cell death in cisplatin-resistant cells. CI values were found to vary showing antagonistic to additive outcomes. Additive effect was observed for all sequences of administration (0/0, 0/4 and 4/0 h) in A2780^cisR. Enhanced cellular accumulation of cisplatin was observed in parent and resistant cells on combination. Docking results revealed that among the selected oncotargets, Chk1, CD73, Nrf2, PCAF and AT tip60 were more vulnerable to wedelolactone than their respective standard inhibitors. CONCLUSION: These findings have shown that additive outcome of drug combination in A2780^cisR and raised levels of platinum accumulation followed a clear pattern. This observation indicates that the presence of wedelolactone might have contributed to sensitize A2780^cisR. However, in silico results point to the possible effects of this compound on epigenetic factors involving tumor microenvironment, epithelial mesenchymal transition, and immune-checkpoint kinases. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9HPLC of Formula: 524-12-9).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofuran is the “”parent”” of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. Introduction of benzofurans in organic synthesis, particularly drug synthesis, involves generally the use of their metalated species as nucleophiles in addition reactions or in metal-catalysed cross-coupling reactions.HPLC of Formula: 524-12-9

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2 was written by Abdizadeh, Rahman;Hadizadeh, Farzin;Abdizadeh, Tooba. And the article was included in Molecular Diversity in 2022.Formula: C16H10O7 The following contents are mentioned in the article:

Abstract: Coronavirus disease 2019 (COVID-19) is a pandemic viral disease caused by SARS-CoV-2 that generated serious damages for both the human population and the global economy. Therefore, it is currently considered as one of the most important global health problems of human societies and there is an urgent need for potent drugs or vaccines which can effectively combat this virus. The chymotrypsin-like protease (3CLpro) of SARS-CoV-2 plays a key role in the viral replication inside the host and thus is a promising drug target to design and develop effective antiviral drugs against SARS and other coronaviruses. This study evaluated some antiviral coumarin phytochems. as potential inhibitors of coronaviruses 3CLpro by in silico approaches such as mol. docking, ADMET prediction, mol. dynamics simulation, and MM-PBSA binding energy calculation Natural coumarin derivatives were docked to the 3CLpro of SARS-CoV-2 and for further investigation, docked to the 3CLpro of SARS-CoV and MERS-CoV. The docking scores of these natural compounds were compared with 3CLpro referenced inhibitors (ritonavir and lopinavir) and co-crystal inhibitor N3. Mol. docking studies suggested more than half of the coumarin phytochems. had favorable interaction at the binding pocket of the coronaviruses 3CLpro and exhibited better binding affinities toward 3CLpro than ritonavir and lopinavir. Most antiviral phytochems. interact strongly with one or both the catalytic dyad residues (His41 and Cys145) and the other key residues of SARS-CoV-2 main protease. Further, MD simulation and binding free energy calculations using MM-PBSA were carried out for three 3CLpro-coumarin complexes and 3CLpro-N3/lopinavir. The results confirmed that the 3CLpro-glycycoumarin, 3CLpro-oxypeucedanin hydrate, and 3CLpro-inophyllum P complexes were highly stable, experience fewer conformation fluctuations and share a similar degree of compactness. Also, the pharmacokinetics and drug-likeness studies showed good results for the selected coumarin phytochems. Therefore, the coumarin phytochems. could be used as antiviral agents in the treatment of COVID-19 after further studies. Graphical abstract: [graphic not available: see fulltext] This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9Formula: C16H10O7).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives.Benzofuran is one of the most significant oxygen-containing heterocycles consisting of fused benzene and furan ring, which are widely presented in various naturally occurring and synthetically active compounds. Substituted benzofurans find applications such as fluorescent sensors, oxidants, in drug discovery, and in another field of chemistry and agriculture.Formula: C16H10O7

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

corrected and Republished: Comparative botanical and phytochemical studies of ambiguous medicinal plant species of Wedelia and Eclipta (Fam. Asteraceae) used in ASU systems of medicine with special reference to in-silico screening of hepatoprotective potential of marker wedelolactone with acetaminophen targets was written by Arunachalam, C.;Arunadevi, R.;Murugammal, S.;Monika, N.;Susila, R.;Kumar, K. N. Sunil. And the article was included in Pharmacognosy Research in 2021.SDS of cas: 524-12-9 The following contents are mentioned in the article:

Context: In traditional medicine, Kesaraja (Ayurveda) or Manjal karisali (Siddha) is effective for jaundice. Aim: Three species of Asteraceae need to be studied for their therapeutic superiority of their intended claim. They are Wedelia chinensis (Osbeck) Merr. Philipp J., Wedelia trilobata (L.) Hitchc. and Eclipta prostrata (L.) L. (Asteraceae). The present study aimed to screen and characterize the potential species for therapeutic purpose. Materials and Methods: The whole plants, W. chinensis (Osbeck) Merr. W. trilobata (L.) Hitchc. and E. prostrata (L.) (Asteraceae) were collected and botanically identified. Preliminary phytochem. anal. and high-performance thin-layer chromatog. finger printing with marker wedelolactone were done for the ethanolic extracts of these plants. Botanical and pharmacognostical diagnostic characters of the plants based on macro-morphol., micro-morphol. and powder microscopical characterization were worked out. Comparative in-vitro antioxidant potential of ethanolic extracts of these plant species was carried out. Using ADMET SAR software, the pharmacokinetics of wedelolactone were predicted. Using Autodock 4.2 software, the binding energy of wedelolactone on targets of acetaminophen-induced hepatotoxicity namely PPAR-α, AMPK, JNK-1, EGFR, Nrf2, ALT, ALP, GGT, CAR, Frizzled receptor, FXR, ERK1, LXR, mitochondrial glutamate dehydrogenase, p53, mTOR C1, CYP1A2, CYP2E1, 5-lipoxygenase, thrombin, UCP1, GSK1, RXR and PXR was predicted. Results: All the three plant species were pharmacognostically and chem. different. W. chinensis was found to possess more antioxidant potential than the other two plants. The marker compound wedelolactone was not detected in W. trilobata. Wedelolactone passed the Lipinski′s rule of five, and the docking anal. of wedelolactone confirmed high binding affinity toward PPAR-α, AMPK, Nrf2, CYP2E1, EGFR, JNK1, UCP-2, thrombin, 5-lipoxygenase, mTORC1, RXR, FXR, LXR, Frizzled receptor, GDH and Erk-1. Conclusion: Based on the above observations, we conclude that the presence of marker compound wedelolactone might have attributed the potency of W. chinensis and E. prostrata in counteracting acetaminophen toxicity when compared with W. trilobata. This study involved multiple reactions and reactants, such as 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9SDS of cas: 524-12-9).

1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one (cas: 524-12-9) belongs to benzofurans derivatives. Benzofurans are only weakly aromatic in nature and they are cleaved by many oxidative and reductive conditions. Benzofurans have also made significant and distinctive contributions to biology. They exhibit several biological activities that range from antiviral, antimicrobial, antitumor, anti-inflammatory.SDS of cas: 524-12-9

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem