5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase编号: 72988
• 分子式: C20H20O7
• 平均质量: 372.3686
• 单一同位素质量: 372.12090298
• SMILES: c1(c(c(c2c(c1OC)oc(cc2=O)c1ccc(cc1)OC)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
• InChI: InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
• InChIKey: ULSUXBXHSYSGDT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC传统名: tangeretin
• 别名: Tangeritin; Ponkanetin; Pentamethoxyflavone; Tangeretin; Tangeritin

登记号

• CAS号: 481-53-8
• PubChem SID: 162037908
• PubChem CID: 68077
• 美国药典/FDA物质标识码: I4TLA1DLX6
• 维基百科标题: Tangeritin

理论计算性质

• Acid pKa: 15.263192
• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 2.1790287
• LogD (pH = 7.4): 2.1790287
• Log P: 2.1790287
• 摩尔折射率: 99.2872 cm^3
• 极化性: 37.90371 Å^3
• 极化表面积: 72.45 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 155-156 °C
• 沸点: 565.3 ± 50.0 °C
• 密度: 1.244 ± 0.06 g/cm3

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S2363

Research Area: Neurological Disease
Biological Activity:
Tangeretin(Tangeritin) is a citrus flavonoids. It has the typical flavonoid structure and contains 5 methoxyl groups. This high level of methoxylation increases the hydrophobic character of tangeretin. It has a very bitter taste. Only recently have scientists studied the biological activity of tangeretin. They found that tangeretin is readily absorbed in tissues and that it has many beneficial properties such lowering of cholesterol, anti-tumor activity and neuroprotective action. [1]

参考文献

• http://www.phytochemicals.info/phytochemicals/tangeretin.php