(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol

• ChemBase编号: 73007
• 分子式: C13H18O7
• 平均质量: 286.27782
• 单一同位素质量: 286.10525292
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1ccc(cc1)CO)O)O)O
• Canonical SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)CO)[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
• InChIKey: PUQSUZTXKPLAPR-UJPOAAIJSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
• IUPAC传统名: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol; gastrodin
• 别名: Gastrodine; Gastrodin(Gastrodine); 4-(beta-D-glucopyranosyloxy) benzyl alcohol; Gastrodin; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol; 4-Hydroxybenzyl alcohol; 4-O-beta-D-Glucopyranoside; 4-(Hydroxymethyl)phenyl beta- D -glucopyranoside; 4-beta- D Glucopyranosyloxybenzyl alcohol; Gastrodin

登记号

• CAS号: 62499-27-8
• PubChem SID: 162037927
• PubChem CID: 115067
• Chemspider ID: 102977
• 维基百科标题: Gastrodin

理论计算性质

• Acid pKa: 12.199467
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): -1.3657374
• LogD (pH = 7.4): -1.3657442
• Log P: -1.3657373
• 摩尔折射率: 66.9992 cm^3
• 极化性: 27.105778 Å^3
• 极化表面积: 119.61 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

药理学性质

• 生物活性机理: Increases extracellular glutamate level; Prevents glutamate- and NMDA-induced neurotoxicity

产品相关信息

• 成盐信息: Free Base
• 生物来源: Isol. from Gastrodia elata and Galeolae septentrionalis
• 应用领域: Anticonvulsant; Antihypertensive; Hypnotic and Sedative props.

详细说明

Selleck Chemicals - S2383

Research Area: Cardiovascular Disease
Biological Activity:
Gastrodin (Gastrodine) is a polyphenol. It is the glucoside of 4-hydroxybenzyl alcohol (gastrodigenin). Gastrodin is the most important and effective ingredient extracted from Chinese natural herbal gastrodia elata B1. Its molecular formula is C13H18O7 and molecular weight is 286.25. Gastrodin could ameliorate cerebral ischemia-reperfusion injury. [1,2] References on Gastrodin (Gastrodine) [1] http://en.wikipedia.org/wiki/Gastrodin, , [2] apjcn.nhri.org.tw/server/APJCN/Volume16/.../XiaodongBie(305-308).pdf, ,

参考文献

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