5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one hydrate

• ChemBase编号: 77615
• 分子式: C15H12O6
• 平均质量: 288.25218
• 单一同位素质量: 288.0633881
• SMILES: o1c2cc(c(c(c2c(=O)cc1c1ccccc1)O)O)O.O
• Canonical SMILES: Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1.O
• InChI: InChI=1S/C15H10O5.H2O/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;/h1-7,17-19H;1H2
• InChIKey: NPXBMGZSFXMEQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one hydrate
• IUPAC传统名: baicalein hydrate
• 别名: Baicalein monohydrate; 5,6,7-Trihydroxy-2-phenyl-4H-chromen-4-one monohydrate,; 5,6,7-Trihydroxyflavone monohydrate; Baicalein Monohydrate; 5,6,7-Trihydroxyflavone; BAICALEIN

登记号

• CAS号: 491-67-8
• MDL号: MFCD00150281
• PubChem SID: 162042487
• PubChem CID: 5702782

理论计算性质

• Acid pKa: 6.8081694
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 2.6860042
• LogD (pH = 7.4): 2.0260797
• Log P: 2.7066891
• 摩尔折射率: 72.9139 cm^3
• 极化性: 27.111025 Å^3
• 极化表面积: 86.99 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Ethanol; Methanol
• 外观: Yellow Solid
• 熔点: 264-265°C; 264-265°C

安全信息

• 保存条件: 0°C; -20°C Freezer
• 保存注意事项: Irritant

产品相关信息

• 纯度: >96%

详细说明

MP Biomedicals - 02159067

Purity: >96%
Specifically inhibits 12-lipoxygenase and leukotriene biosynthesis.

Apollo Scientific Ltd - OR1525T

An inhibitor of 12-lipoxygenase, leukotriene biosynthesis & release of lysosomal enzymes. It also inhibits cellular calcium-ion uptake, mobilization & adjuvant-induced arthirritis.

Toronto Research Chemicals - B115250

An inhibitor of 12-lipoxygenase, leukotriene biosynthesis and release of lysosomal enzymes. It also inhibits cellular Ca2+ uptake and mobilization and adjuvant-induced arthritis. Baicalein is the flavonoid component of Nepalese and Sino-Japanese crude d

参考文献

• Kimura, Y., et.al., Biochem. Biophys. Acta, 922: 278, (1987).
• Ono, K., et al.: Biochem. Biophys. Res. Commun., 160, 982 (1987)
• Abe, K., et al.: Chem. Pharm. Bull., 38, 209 (1990)
• Nadler, J.L., et al.: J. Clin. Invest., 80, 1763 (1987)