1,7-二(4-羟基苯基)-3,5-庚二醇 | 79120-40-4

• 物质功能分类: 天然产物 - 酚类
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 中文名称: 1,7-二(4-羟基苯基)-3,5-庚二醇
• 英文名称: 3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane
• 英文别名: hannokinol；1,7-bis(4-hydroxyphenyl)-3,5-heptanediol；1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
• CAS: 79120-40-4
• 化学式: C₁₉H₂₄O₄
• 分子量: 316.397
• InChiKey: GZVIQGVWSNEONZ-UHFFFAOYSA-N

物化性质

• 熔点：
  156-158℃ (methanol )
• 沸点：
  570.2±50.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,7-二(4-羟基苯基)-3,5-庚二醇 生成 4-[2-[6-[2-(4-hydroxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]phenol
  参考文献：
  名称：

  ALEGRIO, LEILA V.;BRAZ-FILHO, RAIMUNDO;GOTTLIEB, OTTO R., PHYTOCHEMISTRY, 28,(1989) N, C. 2359-2362

  摘要：

  DOI：
• 作为产物：
  描述：

  (+/-)-5-hydroxy-1,7-bis-(4'-hydroxyphenyl)-3-heptanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 1,7-二(4-羟基苯基)-3,5-庚二醇
  参考文献：
  名称：

  桤木木材中的双芳基庚烷类化合物和其他成分

  摘要：

  摘要 桤木 (Alnus japonica) 的木材已被证明含有许多二芳基庚烷类化合物以及其他酚类物质，包括开环异落叶松树脂二铁。环化联芳基庚烷与其相应的无环联芳基庚烷共存已被证明，这一事实可能具有生物合成意义。讨论了双芳基庚烷在桦木科成员中可能的化学分类学重要性。还描述了几种类固醇和三萜类化合物的分离和鉴定。

  DOI：

  10.1016/0031-9422(81)83035-x

文献信息

• CURCUMINOID COMPOSITION FOR THERAPEUTIC MANAGEMENT OF METABOLIC SYNDROME
  申请人：Majeed Muhammed

  公开号：US20210106543A1

  公开（公告）日：2021-04-15

  The present invention discloses a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids and its therapeutic application. More specifically, the present invention discloses the use of a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids in the therapeutic management of metabolic syndrome in mammals.
• CURCUMINOID COMPOSITION AND ITS THERAPEUTIC POTENTIAL IN MANAGING LUNG FIBROSIS
  申请人：Majeed Muhammed

  公开号：US20210106544A1

  公开（公告）日：2021-04-15

  The present invention discloses a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids and its therapeutic application. More specifically, the present invention discloses the use of a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids in the therapeutic management of interstitial lung disease or lung fibrosis.
• [EN] CURCUMINOID COMPOSITION AND ITS THERAPEUTIC POTENTIAL IN MANAGING LUNG FIBROSIS<br/>[FR] COMPOSITION DE CURCUMINOÏDE ET SON POTENTIEL THÉRAPEUTIQUE DANS LA PRISE EN CHARGE DE LA FIBROSE PULMONAIRE
  申请人：MAJEED MUHAMMED

  公开号：WO2021076771A1

  公开（公告）日：2021-04-22

  The present invention discloses a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids and its therapeutic application. More specifically, the present invention discloses the use of a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w7w hexahydrocurcuminoids and 5%- 10% w7w octahydrocurcuminoids in the therapeutic management of interstitial lung disease or lung fibrosis.
• [EN] CURCUMINOID COMPOSITION FOR THERAPEUTIC MANAGEMENT OF METABOLIC SYNDROME<br/>[FR] COMPOSITION DE CURCUMINOÏDES DESTINÉE À LA PRISE EN CHARGE THÉRAPEUTIQUE DU SYNDROME MÉTABOLIQUE
  申请人：MAJEED MUHAMMED

  公开号：WO2021076766A1

  公开（公告）日：2021-04-22

  The present invention discloses a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%-10% w/w octahydrocurcuminoids and its therapeutic application. More specifically, the present invention discloses the use of a composition comprising 70%-80% w/w tetrahydrocurcuminoids, 10%-20% w/w hexahydrocurcuminoids and 5%- 10% w/w octahydrocurcuminoids in the therapeutic management of metabolic syndrome in mammals.
• Biarylheptanoids and other constituents from wood of Alnus japonica
  作者：Masayasu Nomura、Takashi Tokoroyama、Takashi Kubota

  DOI：10.1016/0031-9422(81)83035-x

  日期：1981.1

  Abstract The wood of Alnus japonica has been shown to contain a number of biarylheptanoids as well as other phenolics, including secoisolariciresinol diferulate. The co-occurrence of cyclized biarylheptanoids with their corresponding acyclic biarylheptanoids has been demonstrated and this fact may have biosynthetic significance. The possible chemotaxonomic importance of biarylheptanoids in members

  摘要 桤木 (Alnus japonica) 的木材已被证明含有许多二芳基庚烷类化合物以及其他酚类物质，包括开环异落叶松树脂二铁。环化联芳基庚烷与其相应的无环联芳基庚烷共存已被证明，这一事实可能具有生物合成意义。讨论了双芳基庚烷在桦木科成员中可能的化学分类学重要性。还描述了几种类固醇和三萜类化合物的分离和鉴定。