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滨蒿内酯 | 120-08-1

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中文名称:滨蒿内酯
英文名称:Scoparone
CAS No.:120-08-1 分子式:C11H10O4 分子量:206.1947
植物源: 番薯    栀子    刺五加    花茵陈    绵茵陈    滨蒿    黄花蒿    草珊瑚      
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:滨蒿内酯结构式
MSDS:滨蒿内酯msds 价格行情:滨蒿内酯价格
国内供应商
滨蒿内酯的其他展现形式
  • 相关化合物
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东莨菪内酯 7-Hydroxy-6-methoxy-2H-chromen-2-one CAS No.:92-61-5
7-羟基香豆素 7-Hydroxycoumarine CAS No.:93-35-6
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简介
Scoparone 从茵陈蒿中分离出来的,具有抗凝血,抗血管舒张作用,抗炎活性。
名称和标识符
MDL MFCD00006871
InChIKey GUAFOGOEJLSQBT-UHFFFAOYSA-N
Inchi 1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
SMILES O1C(C([H])=C([H])C2=C([H])C(=C(C([H])=C12)OC([H])([H])[H])OC([H])([H])[H])=O
别名信息
- 中文别名 -
滨蒿内酯 6,7-二甲氧基香豆素 滨蒿內酯 6,7-二甲基七叶亭 滨蒿内酯 标准品 滨蒿内酯(RG) 滨蒿内酯Scoparone 滨蒿內酯(标准品) 二甲基七叶亭标准品 滨蒿内酯,6,7-二甲氧基香豆素 滨蒿内酯,Scoparone,植物提取物,标准品,对照品 东喘宁 二甲氧香豆素 分析对照品 蒿属香豆精 蒿属香豆素 七叶内酯二甲醚 香豆素二甲醚 滨蒿内酯(标准品)
+展开
- 英文别名 -
6,7-Dimethoxycoumarin 6,7-Dimethoxy-2H-chromen-2-one 6,7-Dimethoxy-2-benzopyrone 2H-1-Benzopyran-2-one,6,7-dimethoxy- 6.7-Dimethylesculetin SCOPARONE SCOPARONE(RG) PrintBack 6,7-dimethoxychromen-2-one 6,7-Dimethylesculetin O-Methylisoscopoletin O-Methylscopoletin Aesculetin dimethyl ether Escoparone Esculetin 6,7-dimethyl ether Scopoletin methyl ether 6,7-dimethoxy-benzopyran-2-on esculetin dimethyl ether [ "6", "7-Dimethoxycoumarin" ] scoparon AKOS 236-43 SCOPARONE(RG) DIMETHOXYCOUMARIN DIMETHYLESCULETIN 6,7-dimethoxy-coumari 6 6,7-Dimethoxy-Coumarin 6,7-Dimethoxybenzopyran-2-one 6,7-Dimethoxy-2H-1-benzopyran-2-one Dimethyl esculetin Coumarin, 6,7-dimethoxy- o,o-Dimethylesculetin 2H-1-Benzopyran-2-one, 6,7-dimethoxy- C11H10 Scoparone
+展开
物化性质
 实验特性
LogP 1.81020
PSA 48.67000
Merck 13,8479
折射率 1.4389 (estimate)
沸点 265.04°C (rough estimate)
熔点 143-145 °C (lit.)
溶解度 4172 mg/L @ 25 °C (est)
颜色与性状 Powder
溶解性 不可用
密度 1.0858 (rough estimate)
 计算特性
精确分子量 206.05800
氢键供体数量 0
氢键受体数量 4
可旋转化学键数量 2
同位素质量 206.05790880 g/mol
重原子数量 15
复杂度 274
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.9
互变异构体数量
表面电荷 0
拓扑分子极性表面积 44.8
分子量 206.19
国际标准相关数据
EINECS 204-369-0
海关数据
海关编码 2932209090
海关数据

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

生产方法和用途
方法
由6,7-二羟基香豆素(C9H6O4,[305-01-1]与硫酸二甲酯反应而得。
用途
用作有机合成中间体。该品也是一种药物,有平喘、祛痰、镇咳的作用。
用作有机合成中间体。
相关文献

1. Recent advances in pharmacokinetics approach for herbal medicine
Kunming Zhang,Guangli Yan,Aihua Zhang,Hui Sun,Xijun Wang RSC Adv. 2017 7 28876

2. Mass spectrometry based molecular profile dissects the complexity of traditional Chinese medicine
Wenhu Liu,Xiaojuan Guo,Qiang Li,Guang Xu,Mengpei Feng,Tianbing Guan,Leyu Yan,Wenna Nie,Tony Parker,Haitao Lv Anal. Methods 2015 7 2902

3. Metabolism of different dietary phenolic compounds by the urolithin-producing human-gut bacteria Gordonibacter urolithinfaciens and Ellagibacter isourolithinifaciens
Rocío García-Villalba,David Beltrán,María D. Frutos,María V. Selma,Juan C. Espín,Francisco A. Tomás-Barberán Food Funct. 2020 11 7012

4. Gaining insight into the photophysical properties of a coumarin STP ester with potential for bioconjugation
M. González-Pérez,S. Y. Ooi,S. Martins,Jo?o P. Prates Ramalho,A. Pereira,A. T. Caldeira New J. Chem. 2018 42 16635

5. Pharmacokinetics screening for multi-components absorbed in the rat plasma after oral administration traditional Chinese medicine formula Yin-Chen-Hao-Tang by ultra performance liquid chromatography-electrospray ionization/quadrupole-time-of-flight mass spectrometry combined with pattern recognition methods
Xijun Wang,Hui Sun,Aihua Zhang,Guozheng Jiao,Wenjun Sun,Ye Yuan Analyst 2011 136 5068

6. Characterization of interaction between scoparone and bovine serum albumin: spectroscopic and molecular docking methods
Xiangyu Cao,Yonglin He,Dan Liu,Yin He,Xiao Hou,Ye Cheng,Jianli Liu RSC Adv. 2018 8 25519

7. Scoparone protects neuronal cells from oxygen glucose deprivation/reoxygenation injury
Chunfang Wu,Ting Li,Baihui Zhu,Ruiming Zhu,Youran Zhang,Fanglan Xing,Yong Chen RSC Adv. 2019 9 2302

8. Metabolomics study on the hepatoprotective effect of scoparone using ultra-performance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry
Aihua Zhang,Hui Sun,Shengshan Dou,Wenjun Sun,Xiuhong Wu,Ping Wang,Xijun Wang Analyst 2013 138 353

9. Discovery and verification of the potential targets from bioactive molecules by network pharmacology-based target prediction combined with high-throughput metabolomics
Aihua Zhang,Heng Fang,Yangyang Wang,Guangli Yan,Hui Sun,Xiaohang Zhou,Yuying Wang,Liang Liu,Xijun Wang RSC Adv. 2017 7 51069

10. Preparation of some chromeno[4,3-d]pyrido[1,2-a]pyrimidine derivatives by ultrasonic irradiation using NiFe2O4@SiO2 grafted di(3-propylsulfonic acid) nanoparticles
Mehdi Khalaj,Mahboubeh Taherkhani,Mehdi Kalhor New J. Chem. 2021 45 10718

参考资料
Beilstein 204-369-0
化合物详情(旧版)

物理化学性质

密度: 1.248g/cm3
沸点: 369.2°C at 760 mmHg
闪点: 166.8°C
蒸汽压: 1.2E-05mmHg at 25°C

产品用途

应用领域







上下游产品信息




化学品安全说明书(MSDS)



储运特性





扩展阅读
滨蒿內酯 http://www.biopurify.cn/p-3362.html
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