计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I117946-20mg |
20mg |
现货 ![]() |
|
| 别名 | 3,5-二咖啡酰奎宁酸 |
|---|---|
| 英文别名 | 4-fluoro-phenyl-acetonitrile | AKOS032948323 | 3,5-dicaffeoyl quinic acid | 4-Fluorobenzaldhyde | A877898 | NCGC00390251-01 | 3,5-CQA | (1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid | 4-fluorobe |
| 规格或纯度 | 分析标准品 |
| 英文名称 | Isochlorogenic acid A |
| 应用 | An antioxidant that has been shown to have antiproliferative activity. |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 通道阻滞剂 |
| 作用机制 | TRPV3 通道阻断剂 |
| 产品介绍 |
来源于忍冬科植物山银花。An antioxidant that has been shown to have antiproliferative activity. Isochlorogenic acid A is a phenolic acid found in the flowerbud of Lonicera japonica Thunb. It has been used in pharmacologic, as well as food and cosmetic, research. |
| IUPAC Name | (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid |
|---|---|
| INCHI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 |
| InChi Key | KRZBCHWVBQOTNZ-RDJMKVHDSA-N |
| Canonical SMILES | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O |
| Isomeric SMILES | C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O |
| PubChem CID | 6474310 |
| 分子量 | 516.45 |
| 密度 | 1.02 |
|---|---|
| 敏感性 | 对光线敏感 |
| 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 | 825.000 |
| 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 | 2 |
| 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 |
| Purity(HPLC) | 98-100(%) |
|---|---|
| Appearance(I117946) | White to Off-White Powder |
| Infrared spectrum | Conforms to Structure |
| Proton NMR spectrum | Conforms to Structure |
| 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. Yanfang Wu, Xinsheng Wang, Jintao Xue, Enguo Fan. (2017) Plant Phenolics Extraction from Flos Chrysanthemi: Response Surface Methodology Based Optimization and the Correlation Between Extracts and Free Radical Scavenging Activity. JOURNAL OF FOOD SCIENCE, 82 (11): (2726-2733). [PMID:29023721] [10.1111/1750-3841.13916] |
| 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. Yanfang Wu, Xinsheng Wang, Jintao Xue, Enguo Fan. (2017) Plant Phenolics Extraction from Flos Chrysanthemi: Response Surface Methodology Based Optimization and the Correlation Between Extracts and Free Radical Scavenging Activity. JOURNAL OF FOOD SCIENCE, 82 (11): (2726-2733). [PMID:29023721] [10.1111/1750-3841.13916] |