| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I424833-1ml |
1ml |
现货  |
|
| 英文别名 | AMY30613 | Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,(1R,3R,4S,5R)- | Isochlorogenic acid C | (4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Isochlorogenic acid C |
| 生化机理 | 异绿原酸 C（3,4-二咖啡酰奎宁酸；4,5-二咖啡酰奎宁酸）是绿原酸的二-O-咖啡酰衍生物，是一种著名的草本植物抗氧化剂，对 EV71 病毒有抗病毒作用。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
4,5-Di-O-咖啡酰奎宁酸可作为参考标准物，利用高效液相色谱和二极管阵列检测（HPLC-DAD）检测蒿属植物中的酚类化合物还可分别作为高效液相色谱和二极管阵列检测（HPCL-DAD）的标准物。 Information Isochlorogenic acid C (3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid), which is a di-O-caffeoyl derivative of chlorogenic acid, is a well-known antioxidant from herbal plants and shows anti-viral effects against EV71. |
| ALogP | 1.687 |
|---|---|
| hba_count | 5 |
| HBD Count | 5 |
| Rotatable Bond | 9 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (1R,3R,4S,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-RVXRWRFUSA-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 |
| 分子量 | 516.45 |
| Reaxy-Rn | 11340191 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340191&ln= |
| DMSO(mg / mL) Max Solubility | 10 |
|---|---|
| DMSO(mM) Max Solubility | 19.3629264166585 |
| 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 |
| 危险声明 |
H302: 吞食有害 |
| 预防措施声明 |
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 |
| 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] |
| 2. Yi-Long Ma, Zhi Li, Zheng-Fang Wu, Qian-Lan Wu, Xin Guo, Ya-Fang Shang, Kiran Thakur, Zhao-Jun Wei. (2024) Amelioration activity of the high bioaccessible chrysanthemum (Gongju) phenolics on alcohol-induced oxidative injury in AML-12 cells. FOOD CHEMISTRY, 457 (140092). [PMID:38901347] [10.1016/j.foodchem.2024.140092] |
首页
400-620-6333
2篇引用文献 
