| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| H391098-50mg |
50mg |
期货  |
| |
| H391098-100mg |
100mg |
期货 |
|
| 英文别名 | HY-W510159 | 4H3R9623BA | 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl- | 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione | DTXSID10204577 | CHEBI:65842 | 5-O-methyl embelin | BDBM50078845 | Q27134335 | ALPHA-ACETAMIDO-2-METHYLCI |
|---|---|
| 英文名称 | 2-Hydroxy-5-methoxy-3-undecyl-[1,4]benzoquinone |
| 作用类型 | 抑制剂 |
| 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 | 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| INCHI | 1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3 |
| InChi Key | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
| Smiles | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| Isomeric SMILES | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| 分子量 | 308.418 |
| Reaxy-Rn | 2469036 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2469036&ln= |
| 密度 | ~1.1 g/cm³(Predicted) |
|---|---|
| 分子量 | 308.400 g/mol |
| XLogP3 | 5.700 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 11 |
| 精确质量Exact Mass | 308.199 Da |
| 单同位素质量Monoisotopic Mass | 308.199 Da |
| 拓扑极表面积Topological Polar Surface Area | 63.600 Ų |
| 重原子数Heavy Atom Count | 22 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 446.000 |
| 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 | 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 |
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