您当前所在的位置:首页 > 产品中心 > 产品详细信息
520-33-2 分子结构
点击图片或这里关闭

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

ChemBase编号:965
分子式:C16H14O6
平均质量:302.27876
单一同位素质量:302.07903817
SMILES和InChIs

SMILES:
O1[C@@H](CC(=O)c2c1cc(O)cc2O)c1cc(O)c(OC)cc1
Canonical SMILES:
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
InChI:
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChIKey:
AIONOLUJZLIMTK-AWEZNQCLSA-N

引用这个纪录

CBID:965 http://www.chembase.cn/molecule-965.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC传统名
hesperetin
商标名
Hesperin
别名
4'-甲氧基-3,5,7-三羟基黄烷酮
Hesperetin
4'-Methoxy-3',5,7-trihydroxyflavanone
3',5,7-Trihydroxy-4'-methoxyflavanone
Cyanidanon 4'-Methyl Ether 1626
Hesperitin
YSO2
Hesperetin
Hesperetin
CAS号
520-33-2
EC号
208-290-2
MDL号
MFCD00075646
Beilstein号
309850
默克索引号
144670
PubChem SID
46507998
160964428
PubChem CID
72281
CHEBI ID
28230
CHEMBL
399121
Chemspider ID
65234
DrugBank ID
DB01094
KEGG ID
C01709
美国药典/FDA物质标识码
Q9Q3D557F1
维基百科标题
Hesperetin

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 7.8617015  质子受体
质子供体 LogD (pH = 5.5) 2.675566 
LogD (pH = 7.4) 2.5483763  Log P 2.6774368 
摩尔折射率 77.753 cm3 极化性 29.8365 Å3
极化表面积 96.22 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.52  LOG S -3.34 
溶解度 1.38e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
273 mg/L expand 查看数据来源
Sol. EtOH, alkalis expand 查看数据来源
外观
Powder expand 查看数据来源
熔点
226–228 °C expand 查看数据来源
227-232°C expand 查看数据来源
疏水性(logP)
1.1 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
危险公开号
36/37/38 expand 查看数据来源
安全公开号
26-37 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS危险声明
H315-H319-H335 expand 查看数据来源
GHS警示性声明
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand 查看数据来源
纯度
97% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals Wikipedia Wikipedia
DrugBank -  DB01094 external link
Item Information
Drug Groups approved
Description Hesperetin belongs to the flavanone class of flavonoids. Hesperetin, in the form of its glycoside hesperidin, is the predominant flavonoid in lemons and oranges.
Indication For lowering cholesterol and, possibly, otherwise favorably affecting lipids. In vitro research also suggests the possibility that hesperetin might have some anticancer effects and that it might have some anti-aromatase activity, as well as activity again.
Pharmacology Hesperetin is a cholesterol lowering flavanoid found in a number of citrus juices. It appears to reduce cholesteryl ester mass and inhibit apoB secretion by up to 80%. Hesperetin may have antioxidant, anti-inflammatory, anti-allergic, hypolipidemic, vasoprotective and anticarcinogenic actions.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
PDRhealth
Selleck Chemicals -  S2308 external link
Research Area: Cardiovascular Disease
Biological Activity:
Hesperetin is a bioflavonoid and, to be more specific, a flavanone. Hesperidin (a flavonone glycoside) is water-soluble due to the presence of the sugar part in its structure, so on ingestion it releases its aglycone, i.e, hesperetin. [1] Hesperetin is a citrus flavonoid that has been reported to lower plasma cholesterol. It inhibits histamine release from IgE-challenged RBL-2H3 cells, with a potency comparable to the commercial anti-allergy drug azelastine. It also reduces the transcription of ACAT-2 mRNA in Hep-G2 cells and reduces ApoB protein synthesis in a dose-dependent manner. The EC50 for these responses is approximately 50 μM. [2][3]

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle