(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

• ChemBase编号: 127292
• 分子式: C15H12O6
• 平均质量: 288.25218
• 单一同位素质量: 288.0633881
• SMILES: O=C1c2c(O[C@H](c3ccc(O)c(O)c3)C1)cc(O)cc2O
• Canonical SMILES: Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O
• InChI: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
• InChIKey: SBHXYTNGIZCORC-ZDUSSCGKSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
• IUPAC传统名: eriodictyol
• 别名: Eriodictiol; Eriodictyol; (S)-3′,4′,5,7-Tetrahydroxyflavanone; Eriodictyol

登记号

• CAS号: 552-58-9
• EC号: 209-016-4
• MDL号: MFCD00135890
• Beilstein号: 5104930
• PubChem SID: 24886695; 162221613
• PubChem CID: 440735
• Chemspider ID: 389606
• 美国药典/FDA物质标识码: Q520486B8Y
• 维基百科标题: Eriodictyol

理论计算性质

• Acid pKa: 7.847641
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 2.5296102
• LogD (pH = 7.4): 2.3976264
• Log P: 2.5315428
• 摩尔折射率: 73.2707 cm^3
• 极化性: 27.938951 Å^3
• 极化表面积: 107.22 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

• 外观: Powder

安全信息

• 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
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: mouse ... Hexa(15211)

产品相关信息

• 纯度: ≥95.0% (HPLC); 98.0
• 级别: analytical standard
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C15H12O6

详细说明

Sigma Aldrich - 74565

Biochem/physiol Actions
The flavanone eriodictyol is a metabolite in the flavonoid biosynthesis pathway. Eriodictyol has anti-inflammatory and antioxidant activities1 and taste-modifying properties; it is extracted from plants such as Eriodictyon californicum2, the twigs of Millettia duchesnei,3 in Eupatorium arnottianum,4 lemons and as glycoside in rose hips (Rosa canina).5