[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基] 3,4,5-三羟基苯甲酸酯 | 554-37-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 中文名称: [(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基] 3,4,5-三羟基苯甲酸酯
• 中文别名: [(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]3,4,5-三羟基苯甲酸酯
• 英文名称: glucogallin
• 英文别名: monogalloyl glucose；Galloyl glucopyranoside；[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
• CAS: 554-37-0
• 化学式: C₁₃H₁₆O₁₀
• 分子量: 332.264
• InChiKey: GDVRUDXLQBVIKP-KPCWAIEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

安全信息

• 海关编码：
  2914501900

文献信息

• KOSMETISCHE FORMULIERUNG ENTHALTEND FLAVONOID-DERIVATE
  申请人：MERCK PATENT GmbH

  公开号：EP1363594A1

  公开（公告）日：2003-11-26
• USE OF EXTRACTS OF MYRTLE AND OTHER MEDITERRANEAN PLANT SPECIES, AS ANTIMYCOTIC AGENT TOWARDS YEAST AND YEAST-LIKE MICROORGANISMS
  申请人：Romani, Annalisa

  公开号：EP1945237A2

  公开（公告）日：2008-07-23
• COMPOSITION COMPRENANT UN EXTRAIT DE MYRTE ET UN SEL DE FLUOR DESTINEE A UNE APPLICATION BUCCO-DENTAIRE
  申请人：Pierre Fabre Médicament

  公开号：EP3661482B1

  公开（公告）日：2021-09-22
• New alpha-glucosidase inhibitors and antibacterial compounds from Myrtus communis L.
  申请人：Rahman Attaur

  公开号：US20080269510A1

  公开（公告）日：2008-10-30

  Three new acylphloroglucinols, myrtucommulone-D (Compound 1), myrtucommulone-E (Compound 2), myrtucommulone-C (Compound 3), and a known acyphloroglucinol myrtucommulone B (Compound 4) were isolated from a methanolic extract of Myrtus communis L. The structures of compounds 1, 2 and 4 were also unambiguously determined by single X-ray diffraction analysis. The compounds 1-4 were found to be more potent α-glucosidase inhibitors than the clinically used standards, acarbose and deoxynojirimycin. The compound 3 exhibited the highest activity among all the acylphloroglucinols, with an IC 50 =35.4±1.15 μM. The compounds 1 and 2 also exhibited strong antibacterial activities.
• [DE] KOSMETISCHE FORMULIERUNG ENTHALTEND FLAVONOID-DERIVATE<br/>[EN] COSMETIC FORMULATIONS CONTAINING FLAVONOID DERIVATIVES<br/>[FR] FORMULATIONS COSMETIQUES RENFERMANT DES DERIVES DE FLAVONOIDES
  申请人：MERCK PATENT GMBH

  公开号：WO2002069926A1

  公开（公告）日：2002-09-12

  Es werden kosmetische Formulierungen, pharmatische Zubereitungen, Nahrungsmittel und Nahrungsergänzungsmittel, beschrieben, die Flavonoid-Derivate enthalten. Die Flavonoid-Derivate wirken darin z.B. als UV-Filter. Einige der FLavonoid-Derivate stellen neue Verbindungen dar.