2-(2-Phenylethyl)chromoneCAS# 61828-53-3 |
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3D structure
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| Cas No. | 61828-53-3 | SDF | Download SDF |
| PubChem ID | 441964 | Appearance | Powder |
| Formula | C17H14O2 | M.Wt | 250.3 |
| Type of Compound | Phenols | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 2-(2-phenylethyl)chromen-4-one | ||
| SMILES | C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2 | ||
| Standard InChIKey | VNZNWFQJBFLELF-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
2-(2-Phenylethyl)chromone Dilution Calculator
2-(2-Phenylethyl)chromone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.9952 mL | 19.976 mL | 39.9521 mL | 79.9041 mL | 99.8801 mL |
| 5 mM | 0.799 mL | 3.9952 mL | 7.9904 mL | 15.9808 mL | 19.976 mL |
| 10 mM | 0.3995 mL | 1.9976 mL | 3.9952 mL | 7.9904 mL | 9.988 mL |
| 50 mM | 0.0799 mL | 0.3995 mL | 0.799 mL | 1.5981 mL | 1.9976 mL |
| 100 mM | 0.04 mL | 0.1998 mL | 0.3995 mL | 0.799 mL | 0.9988 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Rapid authentication of agarwood by using liquid extraction surface analysis mass spectrometry (LESA-MS).[Pubmed:32342587]
Phytochem Anal. 2020 Apr 27.
INTRODUCTION: Agarwood is a highly valuable fragrant resinous wood which is widely used as traditional Chinese medicines, perfumes, incense and decorations. Due to its high economic value and excessive demand, this leads to a rising price and proliferation of fake commodities. Thus, strict authenticity identification and quality evaluation of agarwood are of great significance. OBJECTIVE: To establish a simple, rapid and non-destructive technique for identifying the authenticity of agarwood. METHODS: Liquid extraction surface analysis mass spectrometry (LESA-MS) was firstly proposed to identify the authenticity of 62 agarwood samples without sample preparation. In addition, multivariate statistical models and thin-layer chromatography (TLC) method were used to analyse and verify the results of LESA-MS. RESULTS: Representative compounds of agarwood were detected by LESA-MS. A characteristic 2-(2-Phenylethyl)chromone compound (m/z 319.1) was treated as a key chemical marker to identify agarwood and its counterfeits rapidly. Several other chromones ions were identified and used as additional evidence for authentic samples. A total of 62 samples were visually discriminated as two groups by principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA), and the specific characteristic marker was highlighted. Moreover, the qualitative results of the conventional TLC method were in agreement with the LESA-MS approach. CONCLUSION: The proposed LESA-MS method was successfully applied in the direct qualitative analysis of agarwood from different sources. This study indicated great feasibility and practicality of LESA-MS in the rapid identification of agarwood, and provided a non-destructive and meaningful preliminary screening tool for the agarwood industry.
Five new 2-(2-phenylethyl)chromone derivatives from agarwood.[Pubmed:32335822]
J Nat Med. 2020 Jun;74(3):561-570.
Agarwood has been used as an incense and in traditional medicines as aphrodisiac, sedative, cardiotonic, and carminative. In this study, five new 2-(2-Phenylethyl)chromones (2, 13-16) and eleven known compounds (1, 3-12) were isolated from the agarwood. The structures of the new compounds were determined by (1)H-, (13)C-, and two-dimensional NMR together with electronic circular dichroism (ECD) spectroscopy. All isolated compounds were evaluated for the phosphodiesterase (PDE) 3A and 5A1 inhibitory activity by the fluorescence polarization method. Dimeric 2-(2-phenylehyl)chromones (13, 14, 16) had potent inhibitory activity to PDE 5A1 with IC50 values of micro molar range (13: 4.2 muM, 14: 7.9 muM, 16: 4.3 muM), whereas they had weak activity to PDE 3A. In contrast, compound (15), which has a phenylpropionic acid moiety instead of the 2-(2-Phenylethyl)chromone moiety in the dimers, showed moderate inhibition of both PDE 3A (IC50: 42.6 muM) and PDE 5A1 (IC50: 15.1 muM).
Anti-inflammatory 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones from agarwood of Aquilaria sinensis.[Pubmed:32229346]
Bioorg Chem. 2020 Jun;99:103789.
Four new 5,6,7,8-tetrahydro-2-(2-Phenylethyl)chromones, aqulisinone A (1), (5S, 6R,7S,8S)-8-chloro-5,6,7-trihydroxy-2-[2-(4'-methoxyphenylethyl)]-5,6,7,8-tetrahy drochromone (2), (5S,6R,7S,8S)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochrom one (3), (5S*,6R*,7R*,8S*)-8-chloro-5-ethoxy-6,7-dihydroxy-2-[2-(3'-hydroxy-4'-methoxy-phe nylethyl)-5,6,7,8-tetrahydrochromone (4), and seven known analogues (5-11) were isolated from agarwood produced of Aquilaria sinensis. Among the new compounds, 4 is an artifact. The structures were elucidated using spectroscopic methods and by comparison with published NMR spectroscopic data. The absolute configurations of 1-3 were defined based on single-crystal X-ray diffraction and electronic circular dichroism (ECD) data. Compound 1 features a (5,5'')-carbon-carbon bond linkage connecting two 2-(2-Phenylethyl)chromone monomeric units. All the new compounds were evaluated for their anti-inflammatory activities by inhibiting the lipopolysaccharide (LPS)-induced nitric oxide (NO) release in RAW264.7 cells, 2 with an IC50 value of 3.46 muM.
Six new dimeric 2-(2-phenylethyl)chromones from artificial agarwood of Aquilaria sinensis.[Pubmed:32147491]
Fitoterapia. 2020 Apr;142:104542.
Six new dimeric 2-(2-Phenylethyl)chromones (1-6) were isolated from the EtOAc extract of artificial agarwood originating from Aquilaria sinensis (Lour.) Glig. Their structures were unambiguously elucidated by spectroscopic techniques (UV, IR, 1D and 2D NMR), and HRESIMS analysis, as well as by comparison with the literature. The absolute configurations were determined by ECD spectra.
Three new dimeric 2-(2-phenylethyl)chromones from artificial agarwood of Aquilaria sinensis.[Pubmed:31983227]
Nat Prod Res. 2020 Jan 25:1-7.
Three new dimeric 2-(2-Phenylethyl)chromones crassin I approximately K (1-3), together with one known analogue (4), were isolated from the artificial holing agarwood originating from Aquilaria sinensis. Their structures including the absolute configuration were elucidated by spectroscopic techniques (UV, IR, 1D and 2D NMR, ECD), and HRESIMS analysis, as well as by comparison with the literature data. Compounds 1 and 2 exhibited weak acetylcholinesterase inhibitory activity.
Three new 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones and one new dimeric 2-(2-phenylethyl)chromone from agarwood of Aquilaria crassna Pierre ex Lecomte in Laos.[Pubmed:31617416]
Nat Prod Res. 2019 Oct 16:1-8.
Three new 5,6,7,8-tetrahydro-2-(2-Phenylethyl)chromones and one new dimeric 2-(2-Phenylethyl)chromone were isolated from the agarwood of Aquilaria crassna Pierre ex Lecomte in Laos. The structures of the isolates were elucidated by spectroscopic methods, and their configurations were determined via ROESY correlations, (3)JH-H coupling constants analyses, comparisons of chemical shifts and specific rotations with known compounds, and ECD calculation in the case of 1. Compounds 1-4 were evaluated for their cytotoxicity. Compounds 1 and 2 exhibited weak cytotoxicity toward HeLa cell line (IC50: 49.8 +/- 1.2 muM) and K562 cell line (IC50: 42.66 +/- 0.47 muM), respectively.
Antioxidative 2-(2-phenylethyl)chromones in Chinese eaglewood from Aquilaria sinensis.[Pubmed:31056992]
J Asian Nat Prod Res. 2020 Jul;22(7):639-646.
Two new compounds 6,7-dimethoxy-2-[2-(2'-hydroxyphenyl)ethyl]chromone (1) and 6,7-dimethoxy-2-[2-(4'-hydroxyphenyl)ethenyl]chromone (2), together with ten known 2-(2-Phenylethyl)chromones (3-12) were isolated from the resinous wood of Aquilaria sinensis (Lour.) Gilg. Their structures were elucidated by detailed IR, MS, NMR spectroscopic analyses, and comparison with reported. The absolute configuration of 3 was confirmed by Cu Kalpha X-ray crystallographic experiment, and the X-ray crystallographic data of 3 were firstly reported. Compounds 2, 8, 10, and 11 exhibited strong ABTS(*+) radical scavenging activity, with IC50 values of 12.3, 16.5, 12.1, and 34.7 muM, respectively.[Formula: see text].
Four new guaiane sesquiterpenoids from agarwood of Aquilaria filaria.[Pubmed:30995565]
Fitoterapia. 2019 Jun;135:79-84.
Six 8,12-epoxyguaiane sesquiterpenes (1-6), together with two known 2-(2-Phenylethyl)chromone derivatives (7-8) were isolated from agarwood originating from Aquilaria filaria. Their structures were established by spectroscopic methods including IR, HRESIMS, 1D, and 2D NMR, and comparison with the published data. The absolute configuration of compound 1 was unambiguously determined by quantum chemical calculation of the electronic circular dichroism (ECD) spectrum. All compounds were tested for their alpha-glucosidase inhibitory activity and cytotoxicity. Compound 5 showed significant alpha-glucosidase inhibitory activity with IC50 value of 253.2+/-9.7muM (Acarbose, 743. 4+/-3.3muM). Compounds 2-4 displayed weak cytotoxicity against K562 tumor cell lines.
Five new epoxy-5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones from Chinese agarwood by artificial holing.[Pubmed:30825575]
Fitoterapia. 2019 Apr;134:182-187.
Five optically active epoxy-5,6,7,8-tetrahydro-2-(2-Phenylethyl)chromone derivatives (1-5) with four chirality centers in the condensed cyclohexene ring were isolated from artificial holing agarwood originating from Aquilaria sinensis (Lour.) Gilg. Their structures were elucidated by spectroscopic techniques (UV, IR, 1D and 2D NMR) and MS analyses. The absolute configuration of 2 was elucidated by TDDFT-ECD calculations and ECD spectra of 1, 3-5 allowed their configurational assignment as well. All of the new compounds contained a condensed oxirane ring, and compound 1 was the only 6,7-epoxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone derivative that has ever been found in agarwood. AChE inhibitory activity was tested for the first time of these new compounds by using modified Ellman's colorimetric method. Compounds 3 and 5 exhibited inhibitory activity against AChE with IC50 value of 441.6, and 155.6muM, respectively.
