2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one

• ChemBase编号: 72964
• 分子式: C21H22O8
• 平均质量: 402.39458
• 单一同位素质量: 402.13146766
• SMILES: c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(cc1)OC)OC)OC)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
• InChI: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
• InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
• IUPAC传统名: nobiletin
• 别名: Hexamethoxyflavone; Nobiletin; 3',4',5,6,7,8-Hexamethoxyflavone; Nobiletin

登记号

• CAS号: 478-01-3
• PubChem SID: 162037884
• PubChem CID: 72344
• 维基百科标题: Nobiletin

理论计算性质

• Acid pKa: 15.127322
• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 2.0213575
• LogD (pH = 7.4): 2.0213575
• Log P: 2.0213575
• 摩尔折射率: 105.7504 cm^3
• 极化性: 40.447197 Å^3
• 极化表面积: 81.68 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Yellow powder

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base
• 分类: Genuine Natural Compounds

详细说明

Selleck Chemicals - S2333

Research Area: Neurological Disease
Biological Activity:
Nobiletin (Hexamethoxyflavone) is a chemical compound and an O-methylated flavone, a flavonoid isolated from citrus peels like in tangerine. Nobiletin (Hexamethoxyflavone) is an agent that have researches on self-microemulsifying agent delivery system going on. [1]

参考文献

• http://en.wikipedia.org/wiki/Nobiletin