| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| C422324-1ml |
1ml |
现货  |
|
| 别名 | 1-(2,4-二羟基-6-甲氧基苯基)-3-苯基丙-2-烯-1-酮 | 豆蔻明 | 小豆蔻明 |
|---|---|
| 英文别名 | (E)-Cardamomin; (E)-Alpinetin chalcone | 2',4'-dihydroxy-6'-methoxychalcone | Cardamonin | 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)- | MFCD00238554 | NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one | |
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Cardamonin |
| 储存温度 | 避光,-80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
这与小豆蔻素相同，不同之处在于它可能同时包含E和Z异构体，而小豆蔻素特别是E异构体。 This is the same as Cardamonin , except it possibly contains both the E and Z isomer, whereas Cardamonin is specifically the E isomer. |
| pKa值 | pKₐ: 7 (Predicted) |
|---|---|
| Ki Data | Dengue virus type 2 NS3 protein: Ki= 377 μM (Dengue virus type 2 ) |
| IC50 | KV1.3: IC₅₀= 2 nM (human); DLD-1: IC₅₀= 41.8 μM (human) |
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| 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 |
|---|---|
| IUPAC Name | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one |
| INCHI | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
| InChi Key | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| Canonical SMILES | COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O |
| Isomeric SMILES | COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O |
| 分子量 | 270.28 |
| Reaxy-Rn | 1990785 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990785&ln= |
| 敏感性 | 对光线敏感 |
|---|---|
| 折光率 | n20D1.66 (Predicted) |
| 沸点 | ~484.5° C at 760 mmHg (Predicted) |
| 熔点 | 177.58° C (Predicted) |
| 分子量 | 270.280 g/mol |
| XLogP3 | 3.500 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 270.089 Da |
| 单同位素质量Monoisotopic Mass | 270.089 Da |
| 拓扑极表面积Topological Polar Surface Area | 66.800 Ų |
| 重原子数Heavy Atom Count | 20 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 346.000 |
| 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 | 0 |
| 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 | 1 |
| 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 | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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