染料木苷 (HCID 5281377)

概述

Genistein 7-O-beta-D-glucoside is a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It has a role as an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is functionally related to a genistein. It is a conjugate acid of a genistein 7-O-beta-D-glucoside(1-).

名称与标识

首选名称: Genistin
IUPAC: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
中文名: 染料木苷
英文名: Genistin
分子式: C21H20O10
分子量: 432.38

名称与别名

Genistin529-59-9GenistosideGenistinegenistein 7-O-glucosideGenistein 7-glucosideGenistein 7-O-beta-D-glucoside1POG3SCN5TDTXSID3022324CHEBI:27514NSC-51125-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

展开更多名称

染料木苷染料木甙GENIS锡染料木苷(标准品)染料木苷(染料木甙纳米脂质体染料木苷染料木苷(对照品)染料木苷/HPLCGenistin试剂Genistin试剂GENISTEIN-7-O-GLUCOSIDEGENISTEIN-7-GLUCOSIDE7-O-BETA-D-GLUCOPYRANOSIDEgenistein 7-O-β-D-glucosideNSC 5112Genistin-RM

4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:639832DTXCID0023245-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one610-921-5

数据库标识

CAS: 529-59-9
PubChem CID: 5281377
DTXSID: DTXSID3022324
ChEMBL: CHEMBL486625
ChEBI: CHEBI:27514
UNII: 1POG3SCN5T
EC Number: 610-921-5
Nikkaji: J40.719D

性质

结构计算性质

XLogP: 0.9
极性表面积: 166 Å²
氢键供体: 6
氢键受体: 10
可旋转键: 4
重原子: 31
形式电荷: 0
复杂度: 675

实验与物化性质

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

LogP0.97

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学性质

熔点: 254 °C · 254°C
比旋光度: 21 · D21 -28° (c = 0.6 in 0.02N NaOH); D26 -21.4° (pyridine)
沸点: 256 °C · 256 °C
密度: 1.642 · 1.642±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
溶解度: 10 mg/mL · DMSO: 10 mg/mL
酸度系数(pKa): 6.12 · 6.12±0.20(Predicted)
形态: Solid
颜色: Off-white
生物来源: Glycine max (soybean)
Merck: 13 · 13,4402
BRN: 64479 · 64479
稳定性: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 week.
主要应用: food and beverages
化妆品成分功效: ANTIOXIDANTSKIN CONDITIONING
InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
LogP: 0.79 · 0.790 (est)

化学性质

不溶于水，稍溶于热水,溶于二甲基亚砜来源于豆科植物大豆Glycinemax(L.)merr种子。

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

危害信息

Regulatory Information · 1 条

4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

安全数据

F: 10
wgk: 3
RTECS号: DJ3093000
存储类别: 11 - Combustible Solids
安全说明: 22-24/25
海关编码: 29389090

化学与工业

应用领域 · 3 条

概述染料木苷(Genistin)是大豆异黄酮中的有效成分之一，是大豆异黄酮有效成分染料木素的7位葡萄糖苷。染料木苷用于反向控制高金雀花碱和其它的酪氨酸激酶抑制剂，其具有改善胰岛素抵抗、抗糖尿病作用、抑制癌细胞活性的能力、抑制前列腺癌和抗氧化活性作用，它们的提取为食品工业和制药工业提供了新的原料和功能性添加剂。

用途染料木苷用于反向控制高金雀花碱和其它的酪氨酸激酶抑制剂。

用途用于含量测定/鉴定/药理实验等。药理药效:具有一定的抗肿瘤、降低血脂的作用。