1-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
• 化学式: C₂₅H₂₈O₅
• 分子量: 408.5
• InChiKey: GVXVZXDPRNGAOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Compounds for the prevention and/or treatment of osteoarthrosis
  申请人：Universitätsklinikum Münster

  公开号：EP2392325A1

  公开（公告）日：2011-12-07

  The present invention relates to new compounds which are inter alia derivable from hops for use in the treatment of (for treating)/prevention or healing of a disease which is associated with an excess transport of hyaluronan across a lipid bilayer, in particular a disease which is associated with or characterized by degeneration and/or a destruction of cartilage (and/or for the prevention of aggrecan loss). Food products comprising these compounds for use in the treatment (for treating) a disease which is associated with an excess transport of hyaluronan across a lipid bilayer, in particular a disease which is associated with or characterized by degeneration and/or a destruction of cartilage, are also envisaged.

  本发明涉及可从啤酒花中提取的新化合物，用于治疗（治疗）/预防或治愈与透明质酸在脂质双分子层上的过量转运有关的疾病，特别是与软骨退化和/或软骨破坏有关或以软骨退化和/或软骨破坏为特征的疾病（和/或预防凝集素的损失）。此外，还设想将含有这些化合物的食品用于治疗（治疗）与透明质酸在脂质双分子层上的过度转运有关的疾病，特别是与软骨退化和/或软骨破坏有关或以软骨退化和/或软骨破坏为特征的疾病。
• Novel aromatic prenyltransferases, nucleic acids encoding same and uses therefor
  申请人：Kuzuyama Tomohisa

  公开号：US20060183211A1

  公开（公告）日：2006-08-17

  In accordance with the present invention, a novel aromatic prenyltransferase, Orf2 from Streptomyces sp. strain CL190, involved in naphterpin biosynthesis has been identified and the structure thereof elucidated. This prenyltransferase catalyzes the formation of a C—C bond between a prenyl group and a compound containing an aromatic nucleus, and also displays C—O bond formation activity. Numerous crystallographic structures of the prenyltransferase have been solved and refined, e.g., (1) prenyltransferase complexed with a buffer molecule (TAPS), (2) prenyltransferase as a binary complex with geranyl diphosphate (GPP) and Mg 2+ , and prenyltransferase as ternary complexes with a non-hydrolyzable substrate analogue, geranyl S-thiolodiphosphate (GSPP) and either (3) 1,6-dihydroxynaphthalene (1,6-DHN), or (4) flaviolin (i.e., 2,5,7-trihydroxy-1,4-naphthoquinone, which is the oxidized product of 1,3,6,8-tetrahydroxynaphthalene (THN)). These structures have been solved and refined to 1.5 Å, 2.25 Å, 1.95 Å and 2.02 Å, respectively. This first structure of an aromatic prenyltransferase displays an unexpected and non-canonical (β/α)-barrel architecture. The complexes with both aromatic substrates and prenyl containing substrates and analogs delineate the active site and are consistent with a proposed electrophilic mechanism of prenyl group transfer. These structures also provide a mechanistic basis for understanding prenyl chain length determination and aromatic co-substrate recognition in this structurally unique family of aromatic prenyltransferases. This structural information is useful for predicting the aromatic prenyltransferase activity of proteins.

  根据本发明，一种新型芳香族前基转移酶 Orf2 来自于 链霉菌 菌株 CL190 中发现的一种参与萘素生物合成的新型芳香族前基转移酶 Orf2，并阐明了其结构。这种炔基转移酶催化炔基与含有芳香核的化合物之间形成 C-C 键，同时还具有形成 C-O 键的活性。前炔基转移酶的许多晶体结构已得到解决和完善，例如：（1）前炔基转移酶与缓冲分子（TAPS）的复合物；（2）前炔基转移酶与二磷酸香叶酯（GPP）和 Mg 2+ 和 (3) 1,6-二羟基萘（1,6-DHN）或 (4) 黄素（即 2,5,7-三羟基-1,4-萘醌，它是 1,3,6,8-四羟基萘（THN）的氧化产物）的三元复合物。这些结构已分别求解并精炼至 1.5 Å、2.25 Å、1.95 Å 和 2.02 Å。这是首个芳香族预烯基转移酶的结构，显示出一种意想不到的非经典（β/α）桶状结构。与芳香底物和含预烯醇底物及类似物的复合物划定了活性位点，并与所提出的预烯醇基团转移的亲电机制相一致。这些结构还为了解这一结构独特的芳香族前酰基转移酶家族的前酰基链长决定和芳香族共底物识别提供了机理基础。这些结构信息有助于预测蛋白质的芳香族前基转移酶活性。
• NOVEL COMPOSITIONS CONTAINING XANTHOHUMOL-CYCLODEXTRIN COMPLEXES
  申请人：Flaxan GmbH & Co. KG

  公开号：EP2249641A1

  公开（公告）日：2010-11-17
• ANIMAL FEED COMPOSITIONS AND FEEDING METHODS
  申请人：Haas, John I.

  公开号：EP2429311A2

  公开（公告）日：2012-03-21
• NEW COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF OSTEOARTHROSIS
  申请人：Universitätsklinikum Münster

  公开号：EP2575806A1

  公开（公告）日：2013-04-10