4-羟基-4-(3-羟基丁-1-烯基)-3,5,5-三甲基环己-2-烯-1-酮 | 24427-77-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-羟基-4-(3-羟基丁-1-烯基)-3,5,5-三甲基环己-2-烯-1-酮
• 英文名称: vomifoliol
• 英文别名: Blumenol-A；4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one；4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
• CAS: 24427-77-8
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: KPQMCAKZRXOZLB-AATRIKPKSA-N

物化性质

• LogP：
  1.05
• 保留指数：
  1718;1768

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-羟基-4-(3-羟基丁-1-烯基)-3,5,5-三甲基环己-2-烯-1-酮 生成 2,6,6-三甲基-2-环己烯-1,4-二酮
  参考文献：
  名称：

  STRAUSS, CHRISTOPHER R.;WILSON, BEVAN;WILLIAMS, PATRICK J., PHYTOCHEMISTRY, 26,(1987) N 7, 1995-1997

  摘要：

  DOI：
• 作为产物：
  描述：

  长寿花糖甙 以 水 为溶剂， 反应 16.0h， 以1.2 mg的产率得到4-羟基-4-(3-羟基丁-1-烯基)-3,5,5-三甲基环己-2-烯-1-酮
  参考文献：
  名称：

  Iridoid and other constituents of Canthium subcordatum

  摘要：

  DOI：

  10.1016/s0031-9422(00)98538-8

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Hemiterpene glycosides with anti-platelet aggregation activities from Ilex pubescens
  申请人：Liu Liang

  公开号：US20060154877A1

  公开（公告）日：2006-07-13

  Two hitherto unreported novel hemiterpene glycosides were isolated in substantially pure form from the root of Ilex pubescens . The chemical structures and some properties of these hemiterpenes have been elucidated. These hemiterpene glycosides possess anti-platelet aggregation activity more potent than those of salvianolic acid B and aspirin and may be used in pharmaceutical compositions in humans and mammals in need of such treatment.

  从毛冬青根部中分离出两种迄今为止未报道的新型半萜糖苷，以基本纯净的形式。这些半萜糖苷的化学结构和一些性质已经被阐明。这些半萜糖苷具有比丹参酚酸B和阿司匹林更强的抗血小板聚集活性，并可用于需要此类治疗的人类和哺乳动物的药物组合物中。
• Metabolism of abscisic acid: Bacterial conversion to dehydrovomifoliol and vomifoliol dehydrogenase activity
  作者：Shin Hasegawa、Stephen M. Poling、V.P. Maier、Raymond D. Bennett

  DOI：10.1016/0031-9422(84)83012-5

  日期：1984.1

  species of Corynebacterium , capable of metabolizing abscisic acid (ABA), was isolated from soil. The organism converted ABA to dehydrovomifoliol [(±)-1′-hydroxy-4′-keto-α-ionone] as the major metabolise. A cell-free extract exhibited vomifoliol dehydrogenase activity. This suggests that vomifoliol is most likely the immediate precursor of dehydrovomifoliol.

  摘要 从土壤中分离到了一种能够代谢脱落酸（ABA）的棒状杆菌。该生物体将 ABA 转化为脱氢伏米叶醇 [(±)-1'-hydroxy-4'-keto-α-ionone] 作为主要代谢物。无细胞提取物表现出呕吐叶醇脱氢酶活性。这表明伏米叶醇很可能是脱氢伏米叶醇的直接前体。
• TERPENE-BASED COMPOSITIONS, PROCESSES, METHODOLOGIES FOR CREATION AND PRODUCTS THEREBY
  申请人：The Werc Shop, LLC

  公开号：US20150080265A1

  公开（公告）日：2015-03-19

  Compositions which are fragrant and contain at least a member set culled from a library of compositions, each being comprised of sub-combinations of selected terpenes. Fragrances that mimic that of various states of organic and synthetic aromatics including products, processes and those from non-combusted plant products, among other things, uniquitous products, processes, medicinals, and related moieties leverage databases of all known terpene groupings are offered for consideration, and have been provided, according to the instant teachings.

  这段话的意思是：这些香味组合至少包含从香料库中挑选的一组成员，每个成员都由选定的萜烯亚组合组成。这些香味可以模仿各种有机和合成芳香化合物，包括产品、过程以及非燃烧植物产品等等，利用所有已知萜烯亚组合的数据库，提供了考虑的选择，并根据本文的教导提供了这些香味。