mussaenosidic acid | 82451-22-7

• 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
• 英文名称: mussaenosidic acid
• 英文别名: (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
• CAS: 82451-22-7
• 化学式: C₁₆H₂₄O₁₀
• 分子量: 376.361
• InChiKey: VLCHQFXSBHIBRV-NJPMDSMTSA-N

物化性质

• 沸点：
  640.2±55.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10

安全信息

• WGK Germany：
  3
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 mussaenosidic acid 在 吡啶 作用下， 反应 20.0h， 生成 (1S,4aS,7S,7aS)-7-acetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
  参考文献：
  名称：

  Iridoid glucosides from Melampyrum

  摘要：

  DOI：

  10.1016/s0031-9422(00)80564-6
• 作为产物：
  描述：

  2'-p-hydroxybenzoyl mussaenosidic acid 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 mussaenosidic acid
  参考文献：
  名称：

  2'-p-Hydroxybenzoyl mussaenosidic acid，一种来自 Vitex negundo 的新型环烯醚萜苷。

  摘要：

  摘要 对荆条乙醇提取物进行进一步色谱分离，分离出另一种新的环烯醚萜苷，其特征为 6'-对羟基苯甲酰麝香葡萄苷酸。

  DOI：

  10.1016/s0031-9422(00)95267-1

文献信息

• Studies on indian medicinal plants-part LXXV
  作者：Pradeep K. Dutta、Uday S. Chowdhury、Ajit K. Chakravarty、Basudeb Achari、Satyesh C. Pakrashi

  DOI：10.1016/s0040-4020(01)91547-9

  日期：1983.1

  Two new glucosidic iridoids, designated as nishindaside (2a) and negundoside (3a), have been isolated from the leaves of Vitex negundo ( Verbenaceae ). The absence of a C(3)–C(4) double bond and the presence of an equatorial 3-methoxy group in 2a, the 3-methoxy-3,4-dihydro derivative of agnuaide (1a), were established from 1H and 13C NMR analyses, corroborated by mass spectral fragmentation of the

  从荆豆（Vitex negundo）（马鞭草科）的叶子中分离出了两种新的糖苷类鸢尾酮，分别命名为nishindaside（2a）和negundoside（3a）。从1 H确定2a中无C（3）–C（4）双键和赤道3-甲氧基的存在，即agnuaide（1a）的3-甲氧基-3,4-二氢衍生物和13 C NMR分析，证实了六乙酸酯（2b）的质谱裂解。尼古多糖苷（3a）可以从碱性水解的结果及其中C-1'，C-2'和C-3'信号的变化推定为mussaenosidic acid的2'-对羟基苯甲酰基衍生物13 C NMR谱。
• Hepatoprotective activity of 2'-p-hydroxybenzoylmussaenosidic
  申请人：——

  公开号：US20040014684A1

  公开（公告）日：2004-01-22

  The present invention provides a method for treating and/or preventing hepatic disease conditions in a subject mammals including human beings, said method comprising the steps of administering to the mammal an effective dosage of composition comprising 2′-p-Hydroxy benzoyl mussaenosidic acid from plant Vitex negundo optionally as individual or in combination with one or more pharmaceutically additives.

  本发明提供了一种用于治疗和/或预防哺乳动物，包括人类的肝病状况的方法，该方法包括向哺乳动物施用包含来自牛蒡树植物的2'-p-羟基苯甲酰木鳖苷酸的有效剂量组合物，可选地与一个或多个药物添加剂单独或组合使用的步骤。
• AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS
  申请人：N-Zyme BioTec GmbH

  公开号：EP3409766A1

  公开（公告）日：2018-12-05

  The present invention relates to a polypeptide having esterase activity selected from the group consisting of (a) a polypeptide comprising the amino acid sequence of SEQ ID NO: 7; (b) a polypeptide that is at least 60 % identical to the amino acid sequence of SEQ ID NO: 7 and which is characterized by having an esterase activity; (c) a polypeptide encoded by a nucleic acid molecule which is at least 60 % identical to the nucleic acid sequence of SEQ ID NO: 5 or 6 wherein said polypeptide is characterized by having an esterase activity; (d) a polypeptide encoded by the nucleic acid molecule of SEQ ID NO: 5 or 6; and (e) a polypeptide encoded by the complementary sequence of a nucleic acid molecule that is able to hybridize with the nucleic acid molecule of SEQ ID NO: 5 or 6. Further, the present invention relates to a polypeptide having esterase activity selected from the group consisting of SEQ ID NO: 24 and 37 (as encoded by nuleic acid molecule of SEQ ID NO: 22 or 23 and SEQ ID NO: 35 and 36). The present invention also relates to a method for the production of oleacein, oleocanthal, or decarboxymethyl elenolic acid dialdehyde (DEDA) comprising the use of the esterase of the present invention. to an organism, preferably a plant cell, genetically engineered with a nucleic acid molecule encoding a polypeptide characterized by having an esterase activity or the vector of the present invention. The present invention also relates to a method for the production of oleacein, oleocanthal, and/or decarboxymethyl elenolic acid dialdehyde (DEDA) comprising the use of the esterase of the present invention.

  本发明涉及一种具有酯酶活性的多肽，该多肽选自由以下组成的组 (a) 包含 SEQ ID NO: 7 的氨基酸序列的多肽；(b) 与 SEQ ID NO: 7 的氨基酸序列至少 60% 相同的多肽，其特征在于具有酯酶活性；(c) 由核酸分子编码的多肽，该核酸分子与 SEQ ID NO: 5 或 6 的核酸序列至少 60% 相同，其中所述多肽的特征在于具有酯酶活性；(d) 由 SEQ ID NO: 5 或 6 的核酸分子编码的多肽；以及(e) 由 SEQ ID NO: 6 的核酸分子编码的多肽：5或6的核酸分子编码的多肽，其中所述多肽的特征在于具有酯酶活性；(d)由SEQ ID NO：5或6的核酸分子编码的多肽；以及(e)由能够与SEQ ID NO：5或6的核酸分子杂交的核酸分子的互补序列编码的多肽。此外，本发明涉及一种具有酯酶活性的多肽，该多肽选自 SEQ ID NO: 24 和 37（由 SEQ ID NO: 22 或 23 和 SEQ ID NO: 35 和 36 的核酸分子编码）组成的组。本发明还涉及一种生产油菜素、油菜醛或脱羧甲基烯醇酸二醛（DEDA）的方法，包括使用本发明的酯酶。本发明涉及一种生物体，最好是植物细胞，其基因工程中含有编码具有酯酶活性的多肽的核酸分子或本发明的载体。本发明还涉及一种生产油菜素、油菜醛和/或脱羧甲基烯醇酸二醛（DEDA）的方法，包括使用本发明的酯酶。
• HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN
  申请人：Council Of Scientific And Industrial Research

  公开号：EP1509223A1

  公开（公告）日：2005-03-02
• HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID
  申请人：Council of Scientific andIndustrial Research

  公开号：EP1503773A1

  公开（公告）日：2005-02-09