1-(4'-hydroxy-3'-methoxy-phenyl)-2-[4''-(3-hydroxypropyl)-2'',6''-dimethoxyphenoxy]-propane-1,3-diol

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1-(4'-hydroxy-3'-methoxy-phenyl)-2-[4''-(3-hydroxypropyl)-2'',6''-dimethoxyphenoxy]-propane-1,3-diol
• 英文别名: (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
• 化学式: C₂₁H₂₈O₈
• 分子量: 408.449
• InChiKey: PDPGPZQOSGGKIP-UXHICEINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  isodonosides I 在 β-glucosidase from sweet almond 、 cellulase 作用下， 以 aq. acetate buffer 为溶剂， 反应 12.0h， 以0.8 mg的产率得到1-(4'-hydroxy-3'-methoxy-phenyl)-2-[4''-(3-hydroxypropyl)-2'',6''-dimethoxyphenoxy]-propane-1,3-diol
  参考文献：
  名称：

  来自海参地上部分的新木脂素和巨豆苷脂对 BaP 诱导的细胞毒性具有细胞保护作用

  摘要：

  六种新木脂素糖苷，名为isodonosides I-VI 和一种名为isodonmegastigmane I 的巨豆苷，与15 种已知化合物一起从日本德岛栽培的Isodon japonicus 地上部分的甲醇提取物中分离出来。基于它们的MS和NMR光谱分析阐明了化合物的化学结构。新木脂素和 megastigmane 糖苷的绝对构型通过衍生化、ECD（电子圆二色性）棉花效应近似和改进的 Mosher 方法确定。此外，发现新木脂素葡萄糖苷对苯并[a]芘诱导的细胞毒性具有显着的细胞保护作用。

  DOI：

  10.1016/j.phytochem.2017.02.007

文献信息

• SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF
  申请人：Barbeau Julie

  公开号：US20130203688A1

  公开（公告）日：2013-08-08

  The present document describes a nutraceutical or cosmeceutical composition for the prophylaxis of an ailment comprising a therapeutically effective amount of a sugar plant syrup filtration residue in association with a pharmaceutically acceptable carrier. The present document also describes a nutraceutical or cosmeceutical composition for improving health condition of skin. The present document describes a method of producing a sugar plant syrup-derived product; wherein the improvement is characterized in the step of: collecting a sugar plant syrup residue during the production of sugar or syrup to produce a syrup-derived by-product.
• [EN] SUGAR PLANT DERIVED BY-PRODUCTS AND METHODS OF PRODUCTION THEREOF<br/>[FR] DÉRIVÉS DE PLANTE SUCRIÈRE ET LEURS PROCÉDÉS DE PRODUCTION
  申请人：FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC

  公开号：WO2012021983A1

  公开（公告）日：2012-02-23

  The present document describes a nutraceutical or cosmeceutical composition for the prophylaxis of an ailment comprising a therapeutically effective amount of a sugar plant syrup filtration residue in association with a pharmaceutically acceptable carrier. The present document also describes a nutraceutical or cosmeceutical composition for improving health condition of skin. The present document describes a method of producing a sugar plant syrup-derived product; wherein the improvement is characterized in the step of: collecting a sugar plant syrup residue during the production of sugar or syrup to produce a syrup-derived by-product.
• Neolignan and megastigmane glucosides from the aerial parts of Isodon japonicus with cell protective effects on BaP-induced cytotoxicity
  作者：Takahiro Matsumoto、Seikou Nakamura、Souichi Nakashima、Tomoe Ohta、Keiko Ogawa、Masashi Fukaya、Junko Tsukioka、Tomohiro Hasei、Tetsushi Watanabe、Hisashi Matsuda

  DOI：10.1016/j.phytochem.2017.02.007

  日期：2017.5

  Six neolignan glucosides, named isodonosides I-VI, and a megastigmane glucoside named isodonmegastigmane I, were isolated together with 15 known compounds from the methanolic extract of aerial parts of Isodon japonicus cultivated in Tokushima, Japan. The chemical structures of the compounds were elucidated based on their MS and NMR spectroscopic analysis. The absolute configurations of the neolignan

  六种新木脂素糖苷，名为isodonosides I-VI 和一种名为isodonmegastigmane I 的巨豆苷，与15 种已知化合物一起从日本德岛栽培的Isodon japonicus 地上部分的甲醇提取物中分离出来。基于它们的MS和NMR光谱分析阐明了化合物的化学结构。新木脂素和 megastigmane 糖苷的绝对构型通过衍生化、ECD（电子圆二色性）棉花效应近似和改进的 Mosher 方法确定。此外，发现新木脂素葡萄糖苷对苯并[a]芘诱导的细胞毒性具有显着的细胞保护作用。