4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol

• ChemBase编号: 154902
• 分子式: C14H12O4
• 平均质量: 244.24268
• 单一同位素质量: 244.07355886
• SMILES: c1cc(c(cc1O)O)/C=C/c1cc(cc(c1)O)O
• Canonical SMILES: Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O
• InChI: InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H
• InChIKey: PDHAOJSHSJQANO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
• IUPAC传统名: 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
• 别名: (E)-2,3′,4,5′-Stilbenetetrol; 2,3′,4,5′-Tetrahydroxy-trans-stilbene; 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,3-benzenediol; Oxyresveratrol

登记号

• CAS号: 29700-22-9
• MDL号: MFCD11974969
• PubChem SID: 162249040
• PubChem CID: 5281717

理论计算性质

• Acid pKa: 8.848038
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): 3.0986319
• LogD (pH = 7.4): 3.0835683
• Log P: 3.0988255
• 摩尔折射率: 69.4364 cm^3
• 极化性: 25.926739 Å^3
• 极化表面积: 80.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Yellow powder

产品相关信息

• 纯度: ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C14H12O4

详细说明

Sigma Aldrich - 91211

Biochem/physiol Actions
Potent antioxidant and free-radical scavenger with demonstrated protective effects against cerebral ischemia and neuroprotective effects against traumatic injury1, inhibits the apoptotic cell death in transient cerebral ischemia2, inhibitory activity on viral DNA replication and late viral protein synthesis of African Swine fever virus3, inhibitory effect on DOPA oxidase activity of mushroom tyrosinase4.