Flavanone | 189381-63-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: Flavanone
• 英文别名: 2-Phenyl-2H-1-benzopyran-4-ol；2-phenyl-2H-chromen-4-ol
• CAS: 189381-63-3
• 化学式: C₁₅H₁₂O₂
• 分子量: 224.259
• InChiKey: INLKLFJWEGTXFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Flavanone 生成 2,4-Diphenyl-2H-benzopyran
  参考文献：
  名称：

  Time-Resolved Absorption Studies on the Photochromic Process of 2H-Benzopyrans in the Picosecond to Submillisecond Time Domain

  摘要：

  Picosecond to submillisecond photochromic reactions of 2,4-diphenyl-2H-benzopyran and 2,2,4-triphenyl2H-benzopyran have been investigated by time-resolved absorption spectroscopy. The C-O bond cleavage of the benzopyrans (closed forms) occurs via the first excited singlet state within 2 ps to produce vibrationally excited open forms in the ground electronic state. In the subnanosecond to submillisecond time domain, several decay components with almost the same spectral profiles are observed. These components are assigned to respective stereoisomers with respect to two double bonds and one single bond of the open enone forms. From the pump-laser power dependencies of the yields of the open forms, it is suggested that the photocleavage gives at first only the open forms revertible to the closed form by a single-bond rotation, and that the photoexcitation of the first generated open forms gives rise to other open forms which need a double-bond rotation for reversion to the closed form. The photochromic reactions of a series of 2H-benzopyrans bearing substituents on the pyran ring have also been studied using nanosecond time-resolved absorption spectroscopy. The size of a substituent in the 4-position fairly affects the rate constants of the thermal reversion of the open form to the closed form.

  DOI：

  10.1021/jp002032e

文献信息

• Methods and compositions for determining isomerase enzymatic activity
  申请人：——

  公开号：US20040096955A1

  公开（公告）日：2004-05-20

  This disclosure provides crystalline flavonoid or flavanone isomerases, isolated non-native isomerase having the structural coordinates of said crystalline isomerase, and nucleic acids encoding such non-native isomerase. Also disclosed are methods of predicting the activity and/or substrate specificity of a putative isomerase, methods of identifying potential isomerase substrates, and methods of identifying potential isomerase inhibitors.

  本公开提供了结晶黄酮或黄烷酮异构酶、具有所述结晶异构酶结构坐标的分离非原生异构酶以及编码这种非原生异构酶的核酸。本发明还公开了预测假定异构酶活性和/或底物特异性的方法、鉴定潜在异构酶底物的方法以及鉴定潜在异构酶抑制剂的方法。
• METHODS AND COMPOSITIONS FOR DETERMINING ISOMERASE ENZYMATIC ACTIVITY
  申请人：Noel Joseph P.

  公开号：US20110020895A1

  公开（公告）日：2011-01-27

  This disclosure provides crystalline flavonoid or flavanone isomerases, isolated non-native isomerase having the structural coordinates of said crystalline isomerase, and nucleic acids encoding such non-native isomerase. Also disclosed are methods of predicting the activity and/or substrate specificity of a putative isomerase, methods of identifying potential ismerase substrates, and methods of identifying potential isomerase inhibitors.
• US7792645B2
  申请人：——

  公开号：US7792645B2

  公开（公告）日：2010-09-07
• US8247205B2
  申请人：——

  公开号：US8247205B2

  公开（公告）日：2012-08-21
• [EN] METHODS AND COMPOSITIONS FOR DETERMINING ISOMERASE ENZYMATIC ACTIVITY<br/>[FR] PROCEDES ET COMPOSITIONS PERMETTANT DE DETERMINER L'ACTIVITE ENZYMATIQUE DES ISOMERASES
  申请人：SALK INST FOR BIOLOGICAL STUDI

  公开号：WO2002018604A2

  公开（公告）日：2002-03-07

  This disclosure provides crystalline flavonoid or flavanone isomerases, isolated non-native isomerase having the structural coordinates of said crystalline isomerase, and nucleic acids encoding such non-native isomerase. Also disclosed are methods of predicting the activity and/or substrate specificity of a putative isomerase, methods of identifying potential isomerase substrates, and methods of identifying potential isomerase inhibitors.