| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I111373-20mg |
20mg |
现货  |
|
| 别名 | 3,4-二咖啡酰奎宁酸 |
|---|---|
| 英文别名 | CHEBI:5995 | 4,5-Dicaffeoylquinic acid | 4,5-Dicqa | Isochlorogenic acid b | UNII-45777W94HK | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid | 3,4-Di-O-Caffeoylquinic acid |
| 规格或纯度 | 分析标准品, ≥98% |
| 英文名称 | Isochlorogenic acid B |
| 储存温度 | 2-8°C储存 |
| 运输条件 | 冰袋运输 |
| 作用类型 | 通道阻滞剂 |
| 作用机制 | TRPV3 通道阻断剂 |
| 产品介绍 |
3,4-Di-O-caffeoylquinic acid (3,4-COQ) is a component of the medicinal herb Youngia japonica.It has a caffeoyl moiety attached with a hexacyclic quinic acid in its structure. Application： |
| 纯度 | ≥98% |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 874-682-0 |
|---|---|
| 分子类型 | 小分子 |
| IIUPAC Name | (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| INCHI | 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChi Key | UFCLZKMFXSILNL-PSEXTPKNSA-N |
| Smiles | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| Isomeric SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O |
| 关联CAS | 14534-61-3,32451-88-0,89886-31-7 |
| MeSH Entry Terms | 3,4-di-O-caffeoylquinic acid;3,4-dicaffeoylquinic acid;3,4-DICQA;isochlorogenic acid B;methyl 3,5-di-O-caffeoyl quinate;methyl-3,5-di-O-caffeoylquinate |
| 分子量 | 516.46 |
| Reaxy-Rn | 11340191 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340191&ln= |
| 密度 | 1.64 |
|---|---|
| 分子量 | 516.400 g/mol |
| XLogP3 | 1.500 |
| 氢键供体数Hydrogen Bond Donor Count | 7 |
| 氢键受体数Hydrogen Bond Acceptor Count | 12 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 516.127 Da |
| 单同位素质量Monoisotopic Mass | 516.127 Da |
| 拓扑极表面积Topological Polar Surface Area | 211.000 Ų |
| 重原子数Heavy Atom Count | 37 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 887.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 4 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 2 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 2 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 象形图 | GHS07 |
|---|---|
| 信号词 | 警告 |
| 1. Yu-Mei Zhao, Lv-Huan Wang, Si-Fan Luo, Qi-Qin Wang, Ruin Moaddel, Ting-Ting Zhang, Zheng-Jin Jiang. (2018) Magnetic beads-based neuraminidase enzyme microreactor as a drug discovery tool for screening inhibitors from compound libraries and fishing ligands from natural products. JOURNAL OF CHROMATOGRAPHY A, 1568 (123). [PMID:30005943] [10.1016/j.chroma.2018.07.031] |
首页
400-620-6333
1篇引用文献 
D2306265
