| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| G421520-1ml |
1ml |
现货  |
|
| 别名 | 甘草甜素 | 甘草皂苷 |
|---|---|
| 英文别名 | (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID | CCRIS 8444 | Glycyrrhetinic acid glycoside | LPLVUJXQOOQHMX-QWBHMCJMSA-N | MFCD00065194 | 18.beta.-glycyrrhizic acid | Glycyr |
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Glycyrrhizic acid |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | OATP1B1 抑制剂;OATP1B3 抑制剂 |
| 产品介绍 |
易溶于热水；乙醇，实际不溶于醚，味极甜。 Glycyrrhizic acid is a triterpenoid saponinl, acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities. |
| 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 | (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| INCHI | 1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 |
| InChi Key | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
| Smiles | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C |
| Isomeric SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O |
| 分子量 | 822.93 |
| Reaxy-Rn | 24723660 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24723660&ln= |
| 比旋光度 | 61 ° (C=1.5, EtOH) |
|---|---|
| 分子量 | 822.900 g/mol |
| XLogP3 | 3.700 |
| 氢键供体数Hydrogen Bond Donor Count | 8 |
| 氢键受体数Hydrogen Bond Acceptor Count | 16 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 822.404 Da |
| 单同位素质量Monoisotopic Mass | 822.404 Da |
| 拓扑极表面积Topological Polar Surface Area | 267.000 Ų |
| 重原子数Heavy Atom Count | 58 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1730.000 |
| 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 | 19 |
| 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 |
| Merck Index | 4505 |
|---|
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