Scopoletine
Scopoletin
CAS: 92-61-5
Molecular Formula: C10H8O4
Scopoletine - Names and Identifiers
| Name | Scopoletin |
| Synonyms | Scopoletol Scopoletin Escopoletin Scopoletine b-Methylesculetin 6-METHOXYCOUMARIN Scopoletin (20 mg) 6-METHOXYUMBELLIFERONE .beta.-Methylesculetin 7-Hydroxy-6-methoxy-2H-chromen-2-on 7-Hydroxy-6-méthoxy-2H-chromén-2-one 7-hydroxy-6-methoxy-2H-chromen-2-one 2H-1-benzopyran-2-one, 7-hydroxy-6-methoxy- 7-Hydroxy-6-methoxy-2H-chromen-2-one, 6-Methoxyumbelliferone, Scopoletin Scopoletin,6-Methoxyumbelliferone, 7-Hydroxy-5-methoxycoumarin, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Chrysatropic acid, Esculetin-6-methyl ether, Gelseminic acid |
| CAS | 92-61-5 |
| EINECS | 202-171-9 |
| InChI | InChI=1/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| InChIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
Scopoletine - Physico-chemical Properties
| Molecular Formula | C10H8O4 |
| Molar Mass | 192.17 |
| Density | 1.2932 (rough estimate) |
| Melting Point | 203-205 °C (lit.) |
| Boling Point | 288.14°C (rough estimate) |
| Flash Point | 172.4°C |
| Water Solubility | Slightly soluble |
| Solubility | Soluble in chloroform, methanol, acetone. |
| Vapor Presure | 2E-07mmHg at 25°C |
| Appearance | White crystal |
| Color | Beige |
| Merck | 14,8408 |
| BRN | 156296 |
| pKa | 7.91±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5430 (estimate) |
| MDL | MFCD00006872 |
| Physical and Chemical Properties | From Artemisia artemisiae |
Scopoletine - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | GN6930000 |
| HS Code | 29322090 |
Scopoletine - Reference
| Reference Show more | 1. Liu, Tiao, Liu, de-long, Wei, Yongju, et al. Determination of scopoletin in tengluoning capsules by U-PLS/RBL Three-Dimensional Fluorescence Spectrometry [J]. Journal of analysis and testing, 2018, 03(v.37):63-68. 2. Study on the photolysis characteristics of scopoletin in water of Tolishi Dingwei Luo Jinxiang et al. Journal of pesticide Science 2014 000(003):313-318. 3. Cui Xiaodi, Li Mengjie, Zhou Bin, et al. Simultaneous determination of four effective components in Chimonanthus praecox leaves by HPLC [J]. Chinese Journal of Experimental prescriptions, 2013, 19(16):85-87. 4. Zhou Bin, Cui Xiaodi, Cheng Dan, etc. Simultaneous determination of four effective components in Chimonanthus praecox granules by RP-HPLC [J]. Shi Zhen, National Medicine, 2013, 24(11):2653-2654. 5. Chen Haijun, Ma Shangzhi, Jiang Min, etc. Screening of α-glucosidase inhibitors from the roots of chicory by ultrafiltration affinity-liquid chromatography-mass spectrometry and molecular docking [J]. Chinese herbal medicine, 2019, 50(02):85-92. 6. Liu Guoyu, Cui xinai, Li Yan, Wang Wei, Zhou Junhui. Comparative study on the contents of scopolamine and scopolamine in different growth years of Datura stramonium L. [J]. Shaanxi Agricultural Sciences, 2020,66(09):43-44. 7. Xiaohong, Ponke Jian, Tang Hui, Zhang Hong, Wei Yan, Liu Le Le, Jiang Guo Zhen. Improvement of quality standard of Mongolian medicine Harri-Sabuga [J]. China Pharmacy, 2021,32(05):536-541. 8. Luo, J., tang, L., zhang, Y. et al. Photodegradation of Scopoletin in Organic Solvents and Aqueous Solutions: Kinetics and Degradation Pathways. Water Air Soil Pollut 229, 50 (2018). https://doi.org/10.1007/s11270-018-3685-5 9. Xu, Wumu, et al. "Bajitianwan attenuates D-galactose-induced memory impairment and bone loss through suppression of oxidative stress in aging rat model." Journal of Ethnopharmacology 261 (2020): 112992.https://doi.org/10.1016/j.jep.2020.112992 10. Liu, Huan, et al. "Antimicrobial activity and virulence attenuation of citral against the fish pathogen Vibrio alginolyticus." Aquaculture 515 (2020): 734578.https://doi.org/10.1016/j.aquaculture.2019.734578 11. Zhu, Hao, et al. "Anti-inflammatory effects of p-coumaric acid, a natural compound of Oldenlandia diffusa, on arthritis model rats." Evidence-Based Complementary and Alternative Medicine 2018 (2018).https://doi.org/10.1155/2018/5198594 12. [IF=4.411] Liang Yang et al."New Insights into the Antibacterial Activity of Hydroxycoumarins against Ralstonia solanacearum."Molecules. 2016 Apr;21(4):468 13. [IF=4.411] Yanling Zeng et al."Rapid Characterization of Components in Bolbostemma paniculatum by UPLC/LTQ-Orbitrap MSn Analysis and Multivariate Statistical Analysis for Herb Discrimination."Molecules. 2018 May;23(5):1155 14. [IF=3.645] Lijuan Wang et al."Systematic characterization and simultaneous quantification of the multiple components of Rhododendron dauricum based on high-performance liquid chromatography with quadrupole time-of-flight tandem mass spectrometry."J Sep Sci. 2015 Sep 15. [IF=2.52] Luo Jinxiang et al."Photodegradation of Scopoletin in Organic Solvents and Aqueous Solutions: Kinetics and Degradation Pathways."Water Air Soil Poll. 2018 Feb;229(2):1-15 16. [IF=0] B Zhou et al."Study on quality standards for Chimonanthus nitens."Genet Mol Res. 2016 Aug 29;15(3) 17. [IF=4.411] Liuyi Yu et al."Systematic Detection and Identification of Bioactive Ingredients from Citrus aurantium L. var. amara Using HPLC-Q-TOF-MS Combined with a Screening Method."Molecules. 2020 Jan;25(2):357 18. [IF=3.978] Chen-Hui Zhao et al."Engineering budding yeast for the production of coumarins from lignin."Biochem Eng J. 2020 Aug;160:107634 19. [IF=3.69] Wumu Xu et al."Bajitianwan attenuates D-galactose-induced memory impairment and bone loss through suppression of oxidative stress in aging rat model."J Ethnopharmacol. 2020 Oct;261:112992 20. [IF=5.165] Juanning Ren et al."Qualitative and quantitative analysis of multi-components in Xing-Su-Ning Capsules for quality improvement."Arab J Chem. 2022 Jun;15:103825 21. [IF=5.396] Xiaoqin Zhang et al."Chimonanthus salicifolius attenuated vascular remodeling by alleviating endoplasmic reticulum stress in spontaneously hypertensive rat."Food & Function. 2022 May;: 22. [IF=7.514] Jie Meng et al."Conduction of a chemical structure-guided metabolic phenotype analysis method targeting phenylpropane pathway via LC-MS: Ginkgo biloba and soybean as examples."FOOD CHEMISTRY. 2022 Oct;390:133155 |
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