| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| P115686-20mg |
20mg |
现货  |
|
| 英文别名 | 1,2,3,4,6-PENTA-O-GALLOYL-.BETA.-GLUCOSE | ACon1_000145 | 1,2,3,4,6-PENTAGALLOYL GLUCOSE (CONSTITUENT OF BANABA LEAF) | beta-Penta-O-galloyl-glucose | PENTA-O-GALLOYL-.BETA.-D-GLUCOPYRANOSE | PENTA-O-GALLOYL-beta-D-GLUCOPYRANOSE | Beta-1,2,3,4,6-Pentagall |
|---|---|
| 规格或纯度 | 分析标准品 |
| 英文名称 | Pentagalloylglucose |
| 储存温度 | 2-8°C储存 |
| 运输条件 | 冰袋运输 |
| 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 | [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| INCHI | 1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 |
| InChi Key | QJYNZEYHSMRWBK-NIKIMHBISA-N |
| Smiles | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| Isomeric SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| 分子量 | 940.677 |
| Reaxy-Rn | 7331369 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7331369&ln= |
| 密度 | 2.05 |
|---|---|
| 分子量 | 940.700 g/mol |
| XLogP3 | 3.600 |
| 氢键供体数Hydrogen Bond Donor Count | 15 |
| 氢键受体数Hydrogen Bond Acceptor Count | 26 |
| 可旋转键计数Rotatable Bond Count | 16 |
| 精确质量Exact Mass | 940.118 Da |
| 单同位素质量Monoisotopic Mass | 940.118 Da |
| 拓扑极表面积Topological Polar Surface Area | 444.000 Ų |
| 重原子数Heavy Atom Count | 67 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1680.000 |
| 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 | 5 |
| 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 | 0 |
| 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 | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| WGK Germany | 3 |
|---|
| 1. Yue Li, Xin-Xin Jiang, Hong-Mei Liu, Xiao-wei Li, Xiao-Jun Luo, Xun Liao, Yan Zhao. (2023) Covalent immobilization of tyrosinase on magnetic multi-walled carbon nanotubes for inhibitor screening. JOURNAL OF SEPARATION SCIENCE, 46 (14): (2300195). [PMID:37232227] [10.1002/jssc.202300195] |
| 2. Kai Ni, Bo Che, Rong Gu, Chunhong Wang, Hongyang Xu, Huiduo Li, Shiyan Cen, Mingzhi Luo, Linhong Deng. (2024) BitterDB database analysis plus cell stiffness screening identify flufenamic acid as the most potent TAS2R14-based relaxant of airway smooth muscle cells for therapeutic bronchodilation. Theranostics, 14 (4): (1744-1763). [PMID:38389834] [10.7150/thno.92492] |
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