7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase编号: 156166
• 分子式: C17H14O4
• 平均质量: 282.29066
• 单一同位素质量: 282.08920893
• SMILES: COc1ccc(cc1)c1coc2cc(ccc2c1=O)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
• InChIKey: LPNBCGIVZXHHHO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC传统名: 7,4'-di-O-methyldaidzein
• 别名: 4',7-二甲氧基-异磺酮; Daidzein dimethyl ether; 4′,7-Dimethoxyisoflavone; 4',7-Dimethoxyisoflavone

登记号

• CAS号: 1157-39-7
• MDL号: MFCD00075889
• Beilstein号: 265550
• PubChem SID: 24864137; 162250304
• PubChem CID: 136419

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.0222259
• LogD (pH = 7.4): 3.0222259
• Log P: 3.0222259
• 摩尔折射率: 78.6666 cm^3
• 极化性: 30.299715 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 161-163°C

安全信息

• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥96.0% (TLC); 97%
• Empirical Formula (Hill Notation): C17H14O4
• 分类: Genuine Natural Compounds

详细说明

Sigma Aldrich - 38763

Biochem/physiol Actions
Plant isoflavone that promotes proliferation of mitochondria in cells damaged by toxins, trauma, or hypoxia. Activity is mediated through the activation and expression of sirtuin (SIRT1), a deacetylase and activator of PGC-1α.1