Bergaptol 佛手酚

CAS 486-60-2 MFCD00210479

化学结构图

486-60-2
SMILES: O=c1ccc2c(O)c3ccoc3cc2o1

化学属性

Mol. FormulaC₁₁H₆O₄
Mol. Weight202.16
Melting Point>178°C (dec.)
Boiling Point
Flash Point-

别名和识别编码

Chemical NameBergaptol
CAS Number486-60-2
Synonym 4-Hydroxy-7H-furo(3,2-g)chromen-7-one 4-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one 5-Hydroxy-6,7-furanocoumarin 5-Hydroxypsoralen Bergaptol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation佛手酚
MDL Number-
Beilstein Registry Number190104
LabNetwork Molecule IDLN00369108
PubChem Substance ID5280371
InChIInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
Canonical SMILES-
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分类

  • Aromatics
  • Heterocycles
  • Inhibitors
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; ester; lactone; alcohol; ether; 1fragment

产品应用

  • A hydroxylated psoralen that acts as a potent inhibitors of debenzylation activity of CYP3A4 enzyme with an IC50 value of 24.92 and 42.93 ?M, respectively. Recent studies suggest that it may have anti

相关文献及参考

  • [2]. Yucheng Zhao et al. Cloning, Functional Characterization, and Catalytic Mechanism of a Bergaptol O-Methyltransferase from Peucedanum praeruptorum Dunn. Front Plant Sci, 2016, 7: 722.
  • Girennavar, B. et al.: Bororg. Med. Chem., 14, 3684 (2007); Girennavar, B. et al..: J. Food Sci., 72, C417 (2007); Joa, H. et al.: J. Nat. Prod., 74, 1513 (2011); Hirata, T. et al.: Bioorg. Med. Chem.
  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance da

安全信息

Storage condition -20 -20°C 储存温度2-8°C
GHS Symbol
Signal word
Safety Statements
Risk Statements
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P305+P351+P338
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛

系列性分类

  1. Medical Research Areas
  2. Metabolism
  3. Cytochrome P450  (细胞色素P450)

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