CAS 528-48-3|3,7,3',4'-TETRAHYDROXYFLAVONE|Fisetin|2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one|Viset|Fustel|viset|Fietin|5-Desoxyquercetin|Fustet|Fisetholz|Cotinin (not to be confused wit...

基本信息

化学结构

分子式

C₁₅H₁₀O₆

分子量

286.2363

精确质量

286.04773804

电荷

InChI

InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

InChIKey

XHEFDIBZLJXQHF-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

Isomeric Smiles

c1cc2c(cc1O)oc(c(c2=O)O)c1ccc(c(c1)O)O

计算属性

JChem

Acid pKa

6.318016

质子受体

质子供体

LogD (pH = 5.5)

1.748803

LogD (pH = 7.4)

0.6970341

Log P

1.8098648

摩尔折射率

74.8813

极化性

27.759434

极化表面积

107.22

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

2.03

LOG S

-3.28

溶解度

1.51e-01 g/l

数据来源

名称和标识

别名

3,7,3',4'-TETRAHYDROXYFLAVONEFisetinVisetFustelFietin5-DesoxyquercetinFustetFisetholzCotinin (not to be confused with Cotinine)Superfustel2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-oneJunger fustik3,3',4',7-TetrahydroxyflavoneFisetin3,3',4',7-四羟基黄酮3,3',4',7-TetrahydroxyflavoneFisetin

IUPAC标准名

2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one

IUPAC传统名

viset 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one

名称和标识

数据登录号

EC号

默克索引号

CAS号

Beilstein号

MDL号

PubChem SID

PubChem CID

CHEMBL

CHEBI ID

维基百科标题

KEGG ID

Chemspider ID

DrugBank ID

数据登录号

化合物性质

产品相关信息

成盐信息

Free Base

生物来源

Colouring matter obtained from Rhus spp., also in Trachylobium verrucosum, Anthyllis vulneraria, Butea frondosa, Gleditsia spp., Acacia spp. and others

应用领域

Anti-carcinogenic

Anti-inflammatory

纯度

97%

安全信息

-20°C

H315-H319-H335

26-37

理化性质

1.688 g/mL

330 °C

330°C dec.

药理学性质

Potent antioxidant

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Selleck Chemicals

S2298

Research Area: Inflammation
Biological Activity:
Fisetin (Fustel) is a potent sirtuin activating compound (STAC) and an agent that modulates sirtuins. Fisetin (Fustel) is therefore a caloric restriction mimetic candidate, a compound that has been shown to be able to alleviate ageing effects in certain model organisms such as the yeast S. cerevisiae, the nematode C. elegans and the fruit fly Drosophila melanogaster. [1] Aside from its effects on ageing,various in vitro studies have shown fisetin (Fustel) to exert anti-inflammatory and anti-carcinogenic effects in different lines of culture cells. [2]

Wikipedia

Fisetin

DrugBank

DB07795

Drug information: experimental

描述信息

参考文献

PubChem文献

数据源提供

• Lim do Y et al. Am J Physiol Gastrointest Liver Physiol. 2009 May;296(5):G1060-8.

• Plant Flavonoids in Biology and Medicine, (eds. Cody, V. et al), A.R. Liss, N.Y., 1986

• Roengsumaran, S. et al., J. Sci. Res. (Bhopal, India), 2000, 25, 169-176

• Jankowska, T. et al., Acta Chim. Hung., 1962, 33, 135

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one

IUPAC传统名

viset 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one

数据登录号

EC号

默克索引号

CAS号

Beilstein号

MDL号

PubChem SID

PubChem CID

CHEMBL

CHEBI ID

维基百科标题

KEGG ID

Chemspider ID

DrugBank ID

描述信息

S2298

Fisetin

DB07795

Drug information: experimental

参考文献

PubChem文献

数据源提供

• Lim do Y et al. Am J Physiol Gastrointest Liver Physiol. 2009 May;296(5):G1060-8.

• Plant Flavonoids in Biology and Medicine, (eds. Cody, V. et al), A.R. Liss, N.Y., 1986

• Roengsumaran, S. et al., J. Sci. Res. (Bhopal, India), 2000, 25, 169-176

• Jankowska, T. et al., Acta Chim. Hung., 1962, 33, 135

生物活性

PubChem BioAssay

化合物性质

产品相关信息

成盐信息

Free Base

生物来源

Colouring matter obtained from Rhus spp., also in Trachylobium verrucosum, Anthyllis vulneraria, Butea frondosa, Gleditsia spp., Acacia spp. and others

应用领域

Anti-carcinogenic

Anti-inflammatory

纯度

97%

安全信息

-20°C

H315-H319-H335

26-37

理化性质

1.688 g/mL

330 °C

330°C dec.

药理学性质

Potent antioxidant

化合物信息

ID:5430