(+/-)-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-(6ar,14ac)-6a,14a-dihydro-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one | 13122-02-6

• 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: (+/-)-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-(6ar,14ac)-6a,14a-dihydro-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one
• 英文别名: (+/-)-13-Hydroxy-2,3-dimethoxy-10,10-dimethyl-(6ar,14ac)-6a,14a-dihydro-6H,10H-pyrano[2,3-c;5,6-g']dichromen-14-on；cis-(+/-)-6a,14a-dihydro-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-10H-bis[1]benzopyrano[3,4-b;6',7'-e]pyran-14(6H)-one；(+/-)-β-Toxicarol；10H-Bis(1)benzopyrano(3,4-b:6',7'-e)pyran-14(6H)-one, 6a,14a-dihydro-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-, (6aS-cis)-；(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one
• CAS: 13122-02-6
• 化学式: C₂₃H₂₂O₇
• 分子量: 410.423
• InChiKey: MTTUVGLGBORPBI-MOPGFXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (+/-)-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-(6ar,14ac)-6a,14a-dihydro-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one 在 potassium carbonate 、 丙酮 、 硫酸二甲酯 作用下， 生成 (6,7-dimethoxy-2H-chromen-4-yl)-(5,7-dimethoxy-2,2-dimethyl-2H-chromen-6-yl)-ketone
  参考文献：
  名称：

  Cahn et al., Journal of the Chemical Society, 1938, p. 734,736

  摘要：

  DOI：
• 作为产物：
  描述：

  毒灰草酚 在 potassium carbonate 、 丙酮 作用下， 生成 (+/-)-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-(6ar,14ac)-6a,14a-dihydro-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one
  参考文献：
  名称：

  Cahn et al., Journal of the Chemical Society, 1938, p. 513,535

  摘要：

  DOI：

文献信息

• TOXICAROL. IV. CONCERNING THE STRUCTURE OF TOXICAROL
  作者：E. P. Clark

  DOI：10.1021/ja01345a056

  日期：1932.6
• METHODS FOR ASSESSING CARDIOVASCULAR STATUS AND COMPOSITIONS FOR USE THEREOF
  申请人：Meadowland Business Partners AB

  公开号：EP0972075B1

  公开（公告）日：2006-08-09
• REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20190015423A1

  公开（公告）日：2019-01-17

  The presently disclosed subject matter relates to methods of regulating gene expression in a cell by modulating the length of primary cilia of a cell, wherein such modulation can modulate the mechanosensitivity of the cell. The presently disclosed subject matter also provides for methods of treating ciliopathies and osteoporosis in a subject by increasing the length of primary cilia of a cell in a subject.
• US6197505B1
  申请人：——

  公开号：US6197505B1

  公开（公告）日：2001-03-06
• Cahn et al., Journal of the Chemical Society, 1938, p. 513,535
  作者：Cahn et al.

  DOI：——

  日期：——