7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

• ChemBase编号: 60045
• 分子式: C15H10O4
• 平均质量: 254.2375
• 单一同位素质量: 254.0579088
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)O)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O
• InChI: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
• InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
• IUPAC传统名: daidzein; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
• 别名: 4',7-二羟基-异磺酮; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Daidzeol; Isoaurostatin; Daidzein; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 4',7-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Daidzein; 4',7-Dihydroxyisoflavone; 4′,7-Dihydroxy-iso-flavone; 7-Hydroxy-3-(4-hydroxy-phenyl)-4H-1-benzo-pyran-4-one; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; Daidzein; 4',7-Dihydroxyisoflavone; Dimethylbiochanin B; Daizeol

登记号

• CAS号: 486-66-8
• EC号: 207-635-4
• MDL号: MFCD00016954
• Beilstein号: 231523
• 默克索引号: 142801
• PubChem SID: 24278030; 162025786
• PubChem CID: 5281708
• CHEBI ID: 28197
• CHEMBL: 8145
• Chemspider ID: 4445025
• KEGG ID: C10208
• 美国药典/FDA物质标识码: 6287WC5J2L
• 维基百科标题: Daidzein

理论计算性质

• Acid pKa: 6.47684
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.6871917
• LogD (pH = 7.4): 1.7724496
• Log P: 2.7304378
• 摩尔折射率: 69.702 cm^3
• 极化性: 26.477903 Å^3
• 极化表面积: 66.76 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: DMSO; DMSO: soluble10 mg/mL
• 外观: Off-White Solid; Pale yellow prisms; Powder
• 熔点: 315-323°C; 315-323°C (dec.); 315–323 °C (decomposes); 315-323°C (dec); 328-332°C dec.

安全信息

• 保存条件: -20°C; -20°C Freezer; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Store at -20°C
• RTECS编号: DJ3100040
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 24-26; 26-37-60; R
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

药理学性质

• 相关基因信息: human ... ESR1(2099), ESR2(2100), UGT1A4(54657)mouse ... Aldh1a2(19378), Hexa(15211), Maoa(17161)rat ... Aldh1a2(116676)
• 生物活性机理: Antioxydant; Counteract damaging effects of free radicals in tissues, regulates cell division and cell survival

产品相关信息

• 纯度: >98%; ≥97.0% (HPLC); ≥98%; ≥98.0% (TLC); 97%; 98%; 99.0
• 级别: analytical standard; purum
• 成盐信息: Free Base
• 生物来源: synthetic; Widespread isoflavone in the Leguminosae (Papilionoideae) eg. in Chamaecytisus spp., Cytisus spp., Phaseolus spp. Also from Streptomyces xanthophaeus
• 有效期: (limited shelf life, expiry date on the label)
• 应用领域: Antiaggregant; Antialcoholic; Antioxydant
• Empirical Formula (Hill Notation): C15H10O4

详细说明

Sigma Aldrich - D176

Biochem/physiol Actions
Soy isoflavone daidzein protects against oxidative damage in liver cells induced by 7,12-dimethylbenz[a]anthracene (DMBA). Catalase and superoxide dismutase activity, down-regulated by DMBA, was restored by daidzein.1

Sigma Aldrich - 16587

Biochem/physiol Actions
Soy isoflavone daidzein protects against oxidative damage in liver cells induced by 7,12-dimethylbenz[a]anthracene (DMBA). Catalase and superoxide dismutase activity, down-regulated by DMBA, was restored by daidzein.1

Sigma Aldrich - 30405

Biochem/physiol Actions
Soy isoflavone daidzein protects against oxidative damage in liver cells induced by 7,12-dimethylbenz[a]anthracene (DMBA). Catalase and superoxide dismutase activity, down-regulated by DMBA, was restored by daidzein.1

Sigma Aldrich - D7802

Biochem/physiol Actions
Daidzein is a phytoestrogen that is suggested to play a role in preventing hormone-induced cancers.2 Arrests cell cycle at G1 in Swiss 3T3 cells.3
Soy isoflavone daidzein protects against oxidative damage in liver cells induced by 7,12-dimethylbenz[a]anthracene (DMBA). Catalase and superoxide dismutase activity, down-regulated by DMBA, was restored by daidzein.1
包装
Packaged under Argon.

Selleck Chemicals - S1849

Research Area: Cardiovascular Disease
Biological Activity:
Daidzein belongs to the group of isoflavones. Daidzein and other isoflavone compounds, such as genistein, are present in a number of plants and herbs. Soy isoflavones are a group of compounds found in and isolated from the soybean. Besides functioning as antioxidants, many isoflavones have been shown to interact with animal and human estrogen receptors, and therefore are known as phytoestrogens. Soy isoflavones also produce non-hormonal effects. [1]

MP Biomedicals - 02158812

Purity: >98% A negative control for MP Genistein^1 (tyrosine kinase inhibitor, Cat. No. 152355).

Toronto Research Chemicals - D103500

Inactive analog of Genistein (Cat. #G350000). Blocks the G1 phase of the cell cycle in Swiss 3T3 cells by inhibiting casein kinase II activity1.Daidzein has also been shown to inhibit the action of GABA on recombinant GABAA receptors2.uv max:250 nm (log

参考文献

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