dehydrorotenone | 30990-44-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: dehydrorotenone
• 英文别名: 2-isopropenyl-8,9-dimethoxy-1,2-dihydro-12H-chromeno[3,4-b]furo[2,3-h]chromen-6-one；2-Isopropenyl-8,9-dimethoxy-1,2-dihydro-12H-chromeno[3,4-b]furo[2,3-h]chromen-6-on；5'α-Dehydrorotenon + 5'β-Dehydrorotenon；5'α-Dehydrorotenon, 5'β-Dehydrorotenon；6a,12a-Dehydrorotenon；6a.12a-Dehydrorotenon；16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
• CAS: 30990-44-4
• 化学式: C₂₃H₂₀O₆
• 分子量: 392.408
• InChiKey: GFERNZCCTZEIET-UHFFFAOYSA-N

物化性质

• 沸点：
  580.8±50.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)
• 碰撞截面：
  192.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dehydrorotenone 生成 (6aS,12aR,5'R)-(trans)-(+)-rotenone
  参考文献：
  名称：

  BEGLEV, MICHAEL J.;CROMBIE, LESLIE;HADI, A. HAMID BIN A.;JOSEPHS, JONATHA+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 204-205

  摘要：

  DOI：
• 作为产物：
  描述：

  鱼藤酮 在 乙醇 、 alkaline permanganate 、 丙酮 作用下， 生成 dehydrorotenone
  参考文献：
  名称：

  Butenandt, Justus Liebigs Annalen der Chemie, 1928, vol. 464, p. 274

  摘要：

  DOI：

文献信息

• COMPOSITION INSECTICIDE
  申请人：Gueyne, Jean

  公开号：EP0588857B1

  公开（公告）日：1997-01-15
• DEGUELIN AS A CHEMOPREVENTIVE AGENT FOR LUNG CANCER
  申请人：BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM

  公开号：EP1565181A2

  公开（公告）日：2005-08-24
• Methods and compositions for treating metabolic disorders
  申请人：Mootha Vamsi Krishna

  公开号：US20090143279A1

  公开（公告）日：2009-06-04

  The present invention provides methods of treating of disorders characterized by defective mitochondrial activity. In particular compounds of the present invention can be used in the treatment metabolic diseases and neurodegenerative diseases. The methods are also useful to increase oxidative phosphorylation or to decrease reactive oxygen species (ROS) production in a subject in need thereof.
• SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST
  申请人：Califano Andrea

  公开号：US20090269772A1

  公开（公告）日：2009-10-29

  Systems, methods, and apparatus for searching for a combination of compounds of therapeutic interest are provided. Cell-based assays are performed, each cell-based assay exposing a different sample of cells to a different compound in a plurality of compounds. From the cell-based assays, a subset of the tested compounds is selected. For each respective compound in the subset, a molecular abundance profile from cells exposed to the respective compound is measured. Targets of transcription factors and post-translational modulators of transcription factor activity are inferred from the molecular abundance profile data using information theoretic measures. This data is used to construct an interaction network. Variances in edges in the interaction network are used to determine the drug activity profile of compounds in the subset of compounds. The drug activity profiles are used to form a filter set of compound combinations from the subset of compounds.
• Method of Treating Transplant Rejection and Autoimmune Diseases
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20140050694A1

  公开（公告）日：2014-02-20

  A method of treating autoimmune diseases and transplant rejection, comprising the step of treating the autoimmune or transplant patient with an effective amount of SU-5416 is disclosed.