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1.
Four new stilbeno-phenylpropanoids, gnetumonins A−C (1−3) and (−)-gnetucleistol F (4), together with two known compounds, gnetupendin A and (+)-gnetofuran A, were isolated from the caulis of Gnetum montanum Markgr. (Gnetaceae). The structures of those new compounds were established by extensive analysis of MS, 1D and 2D NMR spectroscopic data. The relative configurations of 1−3 were elucidated by means of the analysis of shielded effect correlating their key 1H NMR shift changes. 相似文献
2.
《Bioorganic & medicinal chemistry letters》2020,30(19):127427
The present study was carried out in the attempt to synthesize a new class of potential anticancer agents comprising eleven compounds (24–34) sharing the 3,5-diarylisoxazole as a core. The chemical structure of the new synthesized compounds was established by IR, 1H NMR, 13C NMR and elemental analysis. Their biological potential towards prostate cancer was evaluated by using cancer PC3 cells and non-tumorigenic PNT1a cells. Interestingly, compound 26 distinguished from others with a quite high selectivity value that is comparable to 5-FU. The binding mode of 26 towards Ribosomal protein S6 kinase beta-1 (S6K1) was investigated at a molecular level of detail by employing docking simulations based on GLIDE standard precision as well as MM-GBSA calculations. 相似文献
3.
Zohreh Habibi Rasool Kheyrabadi Sabrieh Ghasemi Maryam Yousefi Seik Weng Ng 《Phytochemistry letters》2012,5(4):705-707
A new eudesmane-type sesquiterpenoid together with two known flavonoids were isolated from the chloroform extract of the aerial part of Sclerorhachis platyrachis. The structure of the new compound was deduced from its comprehensive spectroscopic analysis including IR, EI-MS, 1H NMR, 13C NMR, DEPT, COSY, HMBC and HMQC and was shown to be 4R*-hydroxy-6S*-tigloyloxyeudesma-7S*-11 (13)-en-12-oic acid (1). Finally, the structure of the new compound was unambiguously confirmed by single-crystal X-ray analysis. The structure of known compounds 2 and 3 were identified by comparison of their spectral data with those reported in the literature. 相似文献
4.
《Bioorganic & medicinal chemistry》2019,27(20):115005
Five new metabolites, including the xanthone derivative wentixanthone A (1), the benzophenone wentiphenone A (2), the diastereomeric mixtures of the bianthrones wentibianthrone A (3a, b) and wentibianthrone B (4a, b), as well as (10R,10′S)-wentibianthrone C (5a) and (10R,10′R)-wentibianthrone C (5b) were obtained from the fungus Aspergillus wentii, isolated from soil of the hypersaline lake El Hamra in Wadi El-Natrun, Egypt. The structures of the isolated compounds were established by one and two-dimensional NMR and MS spectroscopic analysis. The relative configuration of bianthrones (3–5) was elucidated by comparison of experimental and computed 1H NMR chemical shifts. Results of biological assays are reported. 相似文献
5.
Two new pyrrole derivatives Salaciamole (1), Salaciaglycoside A (2), long with one known compound 1H-pyrrole-3-carboxylic acid (3) were isolated from the roots of Salacia amplifolia Merr (Hippocrateaceae). The structures of the new compounds were deduced from their comprehensive spectroscopic analysis including IR, HR-EI-MS, 1H NMR, 13C NMR, DEPT, COSY, HMBC and HMQC. And the structure of the known compound was identified by comparison of their spectral data with those reported in the literature. 相似文献
6.
7.
Quantum mechanics (QM)-based calculations for elucidating full structures of natural compounds are growing in importance and reliability. Two new phenolic glycosides (1 and 2) and 11 known compounds were isolated from the twigs of Spiraea prunifolia var. simpliciflora. The chemical structures of the new compounds (1 and 2) were initially established through different NMR techniques (1H and 13C NMR, COSY, HSQC, and HMBC), HRMS data analysis, and chemical hydrolysis. These structure assignments were further verified by QM-based NMR chemical shift calculations. All of the purified compounds (1–13) were evaluated for their cytotoxicity against four human cancer cell lines (A549, SK-OV-3, SK-MEL-2, and BT549). Those phytochemicals were also evaluated for both anti-inflammatory activity through the measurement of nitric oxide (NO) production levels in lipopolysaccharide (LPS)-stimulated murine microglia BV-2 cell lines and neuroprotective effects via induction of nerve growth factor (NGF) in C6 glioma cells. 相似文献
8.
Two new components, anemarrhena A (1) and anemarrhena B (2), together with five known ones (3–7), were isolated from the rhizome of Anemarrhena asphodeloides Bge. Their structures were established by detailed spectral studies, including 1D-NMR (1H NMR, 13C NMR and DEPT), 2D-NMR (HSQC, HMBC and NOESY), HR-ESI-MS and by the comparison with literature data. The absolute configuration of 2 was further determined by CD analysis. The isolated compounds were evaluated for their antiplatelet aggregative activity. Compounds 1, 2, 3, 5, 6 and 7 exhibited moderate activity of antiplatelet aggregation in vitro, compound 4 showed potential antiplatelet aggregation activity. 相似文献
9.
Salman A. Khan Abdullah M. Asiri Khalid A. Alamry Samy A. El-Daly Mohie A. M. Zayed 《Russian Journal of Bioorganic Chemistry》2013,39(3):312-317
Chalcone derivatives have been synthesized by reaction of 1-(2,5-dimethyl-furan-3-yl)-ethanone with corresponding active aldehyde in ethanolic NaOH in microwave oven. The structure of these compounds was established by elemental analysis, IR, 1H NMR, 13C NMR, and EI-MS spectral analysis. The anti-bacterial activity of these compounds was first tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration (MIC) was determined with the reference of standard drug chloramphenicol. The results showed that pyrazol containing chalcone (compound 8) inhibited both types of bacteria (Gram-positive and Gram-negative) better than chloramphenicol. 相似文献
10.
As a continuation of our interest in apoptosis-inducing triterpenoid saponins from Albizia genus, phytochemical investigation of the stem bark of Albizia chevalieri led to the isolation of three new oleanane-type saponins, named chevalierosides A–C (1–3). Their structures were established on the basis of extensive analysis of 1D and 2D NMR (1H-, 13C NMR, DEPT, COSY, TOCSY, ROESY, HSQC and HMBC) experiments, HRESIMS studies, and by chemical evidence. The pro-apoptotic effect of the three saponins was evaluated on two human cell lines (pancreatic carcinoma AsPC-1 and hematopoietic monocytic THP-1). Cytometric analyses showed that saponins 1–3 induced apoptosis of both human cell lines (AsPC-1 and THP-1) in a dose-dependent manner. 相似文献
11.
A series of new organotin carboxylates have been synthesized by reactions of trans(cis)-1,4-cyclohexanedicarboxylic acid with triorganotin chloride and diorganotin dichloride. All the complexes were characterized by elemental analysis, IR, 1H NMR, 13C NMR, 119Sn NMR spectroscopy; furthermore, complexes 1, 3, 5, 8 and 9 were characterized by X-ray diffraction analyses. The structural analyses show that complex 1 possesses a monomer structure; complex 5 possesses a 1D zigzag chain structure; both the complexes 3 and 8 have 2D network structures and complex 9 has a tetratin 36-membered macrocyclic structure. 相似文献
12.
Amal A. Sallam Yukio Hitotsuyanagi El-Sayed S. Mansour Atallah F. Ahmed Sahar Gedara Haruhiko Fukaya Koichi Takeya 《Phytochemistry letters》2010,3(3):117-121
From the roots of Bryonia cretica L. two new cucurbitacins, isocucurbitacins G (1) and H (2), along with three known cucrbitacins, cucurbitacins G (3), H (4), and J (5) were isolated. The structures of 1 and 2 were determined on the basis of 1D and 2D NMR spectroscopic analysis and X-ray crystallography. The relative stereochemistries of the side chains of 3–5 were also established by comparison of their NMR data and X-ray crystallography. 相似文献
13.
Mohamed-Elamir F. Hegazy Mohamed H. Abd El-Razek Fumihiro Nagashima Yoshinori Asakawa Paul W. Par 《Phytochemistry》2009,70(11-12):1474-1477
Chemical investigations of aerial parts of Tephrosia purpurea yielded the rare prenylated flavonoids, tephropurpulin A (1) and isoglabratephrin (2), in addition to a previously identified flavonoid, glabratephrin (3). Structures were established by 1D and 2D NMR spectroscopy, as well as by HR-MS analysis; for compounds 2 and 3, structures were confirmed by X-ray analysis. 相似文献
14.
Two new labdane diterpenoids, cinereanoid A (1) and cinereanoid B (2), along with five known compounds, calyone (3), pilloin (4), 1-methylindole-3-carboxaldehyde (5), β-sitosterol (6) and stigmasterol (7) were isolated from the aerial parts of Roylea cinerea (Lamiaceae). The new structures were determined by using IR, MS, 1D, 2D NMR spectroscopy. The structure of both new compounds was further confirmed by single crystal X-ray crystallographic analysis. In this study we have also reported single crystal X-ray structure of compound 3 which unambiguously confirmed the relative stereochemistry of tertiary hydroxyl and methyl groups, as it was not established by earlier report. Compounds 4 and 5 were isolated for the first time from this plant. In view of very few reports about this species, this report has increased the phytochemical knowledge about R. cinerea. 相似文献
15.
Alejandro Yam-Puc Fabiola Escalante-Erosa Karlina García-Sosa Fabiola G. Ramírez-Torres Manuel J. Chan-Bacab Wolfgang Eisenreich Claudia Huber Nihat Knispel Gregorio Godoy-Hernández Luis M. Peña-Rodríguez 《Phytochemistry letters》2013,6(4):649-652
Lupeol-3-(3′R-hydroxy)-stearate, also known as procrim b (1), was isolated from the methanolic stem extract of Pentalinon andrieuxii and initially mistaken as lupeol acetate when analyzed by GC–MS only. The correct structure of 1 was established following a careful analysis of its NMR and MS data. 相似文献
16.
Jie-Li Lü Jin-Ao Duan Yu-Ping Tang Nian-Yun Yang Lai-Bin Zhang 《Biochemical Systematics and Ecology》2009,37(4):405-411
Phytochemical investigation of the radix of Angelica sinensis has led to the isolation and identification of a new phthalide dimer, (3Z)-(3aR,6S,3′R,8′S)-3a.8′,6.3′-diligustilide (1), along with three known phthalide dimers, including riligustilide (2), levistolide A (3), senkyunolide O (4), and three known phthalide monomers, including 3,9-dihydroxyl-ligustilide (5), (Z)-butylidene phthalide (6), (Z)-ligustilide (7). Their structures were determined by spectroscopic methods including IR, NMR (1H NMR, 13C NMR, COSY, HSQC, HMBC and NOESY) and MS. Meanwhile, the possible biosynthesis pathways of compounds 1 and 5 were hypothesized. 相似文献
17.
Pyrimidine-fused compounds are of great interest for the discovery of potent bioactive agents. This study describes the synthesis of novel pyranopyrimidines 3a-f and pyranotriazolopyrimidines 4a-d derivatives via the cyclocondensation reaction of α-functionalized iminoether 2, which was obtained from 2-amino-3-cyanopyrane 1, with a series of primary aromatic amines and hydrazides, respectively. Structures of all synthesized compounds were established on the basis of spectroscopic methods including 1H NMR, 13C NMR and ES-HRMS. They were finally tested for their anticoagulant and anti-tyrosinase activities. Significant results have been obtained and the structure-activity relationship (SAR) was discussed with the help of molecular docking analysis. 相似文献
18.
Sowmya Vanguru Lavanya Jilla Yasodakrishna Sajja Rajashaker Bantu Lingaiah Nagarapu Jagadeesh Babu Nanubolu Bala Bhaskar Nishant Jain Sreekanth Sivan Vijjulatha Manga 《Bioorganic & medicinal chemistry letters》2017,27(4):792-796
A new series of 1-((9-chloro-2,3-dimethyl-6,7-dihydro-5H-benzo[7]annulen-8-yl)methoxy)-3-(4-phenylpiperzin-1-yl) propan-2-ols (6a-k) have been designed, synthesized and their structures were established by spectroscopic data (FT-IR, 1H NMR, 13C NMR, HRMS) and further confirmed by X-ray analysis. The newly synthesized compounds 6a-k were evaluated for their in vitro anti-proliferative activity against four cancer cell lines such as HeLa (cervical), MDA-MB-231 (breast), A549 (lung) and MIAPACA (pancreatic). Among the compounds tested, the compound 6e displayed most potent activity against four cancer cell lines with GI50 values ranging from 0.010 to 0.097 μM. The structure and anti-proliferative activity relationship was further supported by in silico molecular docking study of the active compounds against Colchicine binding site of β-tubulin. 相似文献
19.
Two new compounds, lasdiplactone (1) and lasdiploic acid (2) and one known compound 3 were isolated from the chloroform extract of cell free filtrate of the endophytic fungus Lasiosdiplodia pseudotheobromae. The structures of new compounds were determined by interplay of spectral techniques (IR, mass, 1H NMR, 13C NMR, DEPT, and 2D NMR). The absolute configuration at C-4 position of 1 was established as S using a process similar to modified Mosher’s method. The absolute configuration of 2 was established by comparing its ECD spectrum with the calculated ECD spectra of all possible isomers. In the in vitro XO inhibition assay, the highest inhibition was exhibited by 3 with an IC50 of 0.38 ± 0.13 μg/ml, followed by 2 with an IC50 of 0.41 ± 0.1 μg/ml and the least in 1. The oxidized form of 1 also showed high XO inhibition with IC50 of 0.35 ± 0.13 μg/ml. 相似文献
20.
《Phytochemistry letters》2008,1(2):81-84
The ethyl acetate extract of the aerial parts of Ajuga turkestanica afforded 6 neo-clerodane diterpenes, including two novel compounds, 14,15-dihydroajugachin B (1) and 14-hydro-15-methoxyajugachin B (2), in addition to the known diterpenoids chamaepitin (3), ajugachin B (4), ajugapitin (5) and lupulin A (6). Structures were established through exhaustive NMR spectroscopic analysis and chemical transformation in the case of 1. The full 1H and 13C NMR assignment of the C-15 R and S configurations of 14-hydro-15-methoxyajugachin B and chamaepitin were elucidated. 相似文献