3-甲基丁酸[[9R,10R,(+)]-10-乙酰氧基-9,10-二氢-8,8-二甲基-2-氧代-2H,8H-苯并[1,2-b:3,4-b']二吡喃-9-基]酯 | 6005-18-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 3-甲基丁酸[[9R,10R,(+)]-10-乙酰氧基-9,10-二氢-8,8-二甲基-2-氧代-2H,8H-苯并[1,2-b:3,4-b']二吡喃-9-基]酯
• 英文名称: 3′-O-isovaleryl-4′-O-acetyl-cis-khellactone
• 英文别名: (-)-(3'R,4'R)-3'-isovaleryl-4'-acetylkhellactone；dihydrosamidin；dimidin；(-)-cis-3'-isovaleryl-4'-acetylkhellactone；(9R)-10c-acetoxy-9r-isovaleryloxy-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one；(9R)-10c-Acetoxy-9r-isovaleryloxy-8,8-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-on；[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
• CAS: 6005-18-1
• 化学式: C₂₁H₂₄O₇
• 分子量: 388.417
• InChiKey: ALKTVPFKDYZFGA-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (+)-沙米丁 在 乙醇 、 铂 作用下， 生成 3-甲基丁酸[[9R,10R,(+)]-10-乙酰氧基-9,10-二氢-8,8-二甲基-2-氧代-2H,8H-苯并[1,2-b:3,4-b']二吡喃-9-基]酯
  参考文献：
  名称：

  Constitution of Samidin, Dihydrosamidin and Visnadin¹

  摘要：

  DOI：

  10.1021/ja01570a062

文献信息

• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100305068A1

  公开（公告）日：2010-12-02

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for producing a protein and identifying compounds that rescue protein trafficking defects.
• COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING
  申请人：Orlow Seth J.

  公开号：US20110190229A1

  公开（公告）日：2011-08-04

  A method for preventing hyperpigmented skin, undesired pigmentation disorder of skin, or undesired darkening of skin using coumarin compounds, the use of such compounds, and compositions and formulations thereof are disclosed. In a particular embodiment, the coumarin compounds are selected from robustic acid methyl ether, scandenin, and coumophos. The compounds may be prepared as additives to pharmaceutical and cosmetic compositions, and in personal care products such as antiperspirants. In a particular embodiment extends to an antiperspirant product containing a skin darkening inhibitory amount of a compound of the invention. Also, the present skin darkening compounds may be prepared in combination with each other. The compounds, compositions and formulations of the invention may be used for the prevention of the onset or progression of conditions characterized by unwanted skin darkening, including those that may be causally related to aberrant melanogenesis activity including, by way of non-limiting example, hyperpigmentation and others.
• COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF
  申请人：ORLOW Seth J.

  公开号：US20120220545A1

  公开（公告）日：2012-08-30

  Provided are coumarin compounds of formula I, for example, robustic acid methyl ether, and the use of such compounds and compositions thereof to modulate (e.g., inhibit) melanogenesis and pigmentation. wherein R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are described herein. Also provided are plant extracts containing a compound of formula I, and the use of such a plant extract to modulate (e.g., inhibit) melanogenesis and pigmentation. The compound or plant extract may be prepared as pharmaceutical and cosmetic compositions, and may be used for the prevention and treatment of conditions that are related to aberrant melanogenesis activity.
• US8563754B2
  申请人：——

  公开号：US8563754B2

  公开（公告）日：2013-10-22
• US8772252B2
  申请人：——

  公开号：US8772252B2

  公开（公告）日：2014-07-08