金雀花素 | 301-16-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 金雀花素
• 英文名称: scoparin
• 英文别名: chrysoeriol 8-C-glucoside；5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
• CAS: 301-16-6
• 化学式: C₂₂H₂₂O₁₁
• 分子量: 462.41
• InChiKey: YXHFXGHAELQJGK-PGPONNFDSA-N

物化性质

• 熔点：
  253°
• 沸点：
  781.6±60.0 °C(Predicted)
• 密度：
  1.649±0.06 g/cm3(Predicted)
• LogP：
  0.088 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  186
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  金雀花素 在 silver(l) oxide 、 碘甲烷 作用下， 生成 2-(3,4-dimethoxy-phenyl)-5,7-dimethoxy-8-(tetra-O-methyl-β-D-glucopyranosyl)-chromen-4-one
  参考文献：
  名称：

  Zur Kenntnis des Skoparins

  摘要：

  DOI：

  10.1007/bf01524523
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 生成 异金雀花素 、 金雀花素
  参考文献：
  名称：

  Biosynthesis of natural and novel C-glycosylflavones utilising recombinant Oryza sativa C-glycosyltransferase (OsCGT) and Desmodium incanum root proteins

  摘要：

  The rice C-glycosyltransferase (OsCGT) is one of only a small number of characterised plant C-glycosyltransferases (CGT) known. The enzyme C-glucosylates a 2-hydroxyflavanone substrate with UDP-glucose as the sugar donor to produce C-glucosyl-2-hydroxyflavanones. We tested substrate specificity of the enzyme, using synthetic 2-hydroxyflavanones, and showed it has the potential to generate known natural CGFs that have been isolated from rice and also other plants. In addition, we synthesised novel, unnatural 2-hydroxyflavanone substrates to test the B-ring chemical space of substrate accepted by the OsCGT and demonstrated the OsCGT capacity as a synthetic reagent to generate significant quantities of known and novel CGFs. Many B-ring analogues are tolerated within a confined steric limit. Finally the OsCGT was used to generate novel mono-C-glucosyl-2-hydroxyflavanones as putative biosynthetic intermediates to examine the potential of Desmodium incanum biosynthetic CGTs to produce novel di-C-glycosylflavones, compounds implicated in the allelopathic biological activity of Desmodium against parasitic weeds from the Striga genus. (C) 2016 The Authors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.phytochem.2016.02.013

文献信息

• Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases
  申请人：Scaramuzzino, Giovanni

  公开号：EP1336602A1

  公开（公告）日：2003-08-20

  New pharmaceutical compounds of general formula (I): F-(X)q where q is an integer from 1 to 5, preferably 1; -F is chosen among drugs described in the text, -X is chosen among 4 groups -M, -T, -V and -Y as described in the text. The compounds of general formula (I) are nitrate prodrugs which can release nitric oxide in vivo in a controlled and selective way and without hypotensive side effects and for this reason they are useful for the preparation of medicines for prevention and treatment of inflammatory, ischemic, degenerative and proliferative diseases of musculoskeletal, tegumental, respiratory, gastrointestinal, genito-urinary and central nervous systems.

  通式（I）的新药物化合物：F-（X）q，其中q是1到5的整数，最好是1；-F是在文本中描述的药物中选择的，-X是在文本中描述的4个组-M，-T，-V和-Y中选择的。通式（I）的化合物是硝酸盐前药，可以在体内以受控和选择性的方式释放一氧化氮，而不会产生降压副作用，因此它们非常适用于制备用于预防和治疗肌肉骨骼，皮肤，呼吸，消化，泌尿和中枢神经系统的炎症，缺血，退行性和增生性疾病的药物。
• Oral compositions containing botanical extracts
  申请人：Colgate-Palmolive Company

  公开号：EP2517716A1

  公开（公告）日：2012-10-31

  The disclosure provides oral compositions having at least two botanical active ingredients derived from plants. The oral composition also includes an orally acceptable vehicle to deliver an effective amount of the at least two active ingredients in vivo. The botanical active ingredients provide particularly efficacious antimicrobial (antibacterial, antiviral, and/or antifungal), antioxidant, anti-inflammatory, anti-ageing, and or healing properties to the oral compositions.

  本公开提供了具有至少两种植物活性成分的口服组合物。口服组合物还包括一种口服可接受载体，用于在体内输送有效量的至少两种活性成分。植物活性成分可为口服组合物提供特别有效的抗菌（抗细菌、抗病毒和/或抗真菌）、抗氧化、抗炎、抗衰老或治疗特性。
• Oral compositions containing extracts of myristica fragrans and related methods
  申请人：Colgate-Palmolive Company

  公开号：EP2689806A1

  公开（公告）日：2014-01-29

  Described herein are compositions comprising a combination of extracts, and methods of preparing and using the same.

  本文描述了包含提取物组合的组合物，以及制备和使用组合物的方法。
• Oral compositions containing extracts of garcinia mangostana l. and related methods
  申请人：Colgate-Palmolive Company

  公开号：EP2689805A1

  公开（公告）日：2014-01-29

  Described herein are compositions comprising a combination of extracts, and methods of preparing and using the same.

  本文描述了包含提取物组合的组合物，以及制备和使用组合物的方法。
• Oral compositions containing extracts of zizyphus joazeiro and related methods
  申请人：Colgate-Palmolive Company

  公开号：EP2689807A1

  公开（公告）日：2014-01-29

  Described herein are compositions comprising a combination of extracts, and methods of preparing and using the same.

  本文描述了包含提取物组合的组合物，以及制备和使用组合物的方法。