(2,4-Dihydroxyphenyl)[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methyl-3-cyclohexen-1-yl]methanone | 105016-28-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (2,4-Dihydroxyphenyl)[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methyl-3-cyclohexen-1-yl]methanone
• 英文别名: (2,4-dihydroxyphenyl)-[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
• CAS: 105016-28-2
• 化学式: C₃₄H₃₀O₉
• 分子量: 582.6
• InChiKey: YYUHPJKWIHNMSV-PWGLUJNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  179
• 氢给体数：
  8
• 氢受体数：
  9

文献信息

• DIELS-ALDERASE AND USE THEREOF
  申请人：Peking University

  公开号：EP3825398A1

  公开（公告）日：2021-05-26

  The present invention provides a Diels-Alderase and use thereof, and belongs to the field of gene engineering technology. The Diels-Alderase is MaDA, and its amino acid sequence and gene sequence are represented by SEQ ID Nos. 1 and 2, respectively. The present invention also provides MaDA-1 and MaDA-2, both of which are homologous proteins of MaDA, and their amino acid sequences are represented by SEQ ID Nos. 10 and 12, respectively. The present invention has discovered that MaDA and its homologous proteins from Morus alba can stereospecifically synthesize natural products of endo configuration, and prepare D-A type natural products and their analogs in vitro using chalcones and dehydroprenyl-containing compounds as substrates, which helps to develop and utilize the medicinal value of such natural products, and also provides a possibility to synthesize other six-membered ring-containing important chemical precursors or natural products.

  本发明提供了一种 Diels-AlderaSE 及其用途，属于基因工程技术领域。该 Diels-AlderaSE 为 MaDA，其氨基酸序列和基因序列分别由 SEQ ID 编号 1 和 2 表示。本发明还提供了 MaDA-1 和 MaDA-2，它们都是 MaDA 的同源蛋白，其氨基酸序列分别由 SEQ ID 编号 10 和 12 表示。本发明发现，桑白皮中的MaDA及其同源蛋白可以立体定向合成内构型天然产物，并以查耳酮和含脱氢丙烯基化合物为底物，体外制备D-A型天然产物及其类似物，有助于开发和利用此类天然产物的药用价值，同时也为合成其他含六元环的重要化学前体或天然产物提供了可能。
• JPH0523185A
  申请人：——

  公开号：JPH0523185A

  公开（公告）日：1993-02-02