计算溶液所需的质量、体积或浓度。
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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P418617-5mg |
5mg |
现货 ![]() |
| |
P418617-10mg |
10mg |
现货 ![]() |
| |
P418617-25mg |
25mg |
现货 ![]() |
| |
P418617-50mg |
50mg |
现货 ![]() |
| |
P418617-100mg |
100mg |
期货 ![]() |
|
英文别名 | AKOS037514772 | (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadeca |
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规格或纯度 | ≥97% |
英文名称 | Pedunculoside |
储存温度 | 避光,-20°C储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
Pedunculoside 通过对脂质形成和脂肪酸 β-氧化的调节而发挥降脂作用。 an inhibitior of human carbonic anhydrase 9 |
作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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PubChem SID | 504767607 |
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分子类型 | 小分子 |
IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
INCHI | InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1 |
InChi Key | LARPFJIXBULVPK-FBAXZNBGSA-N |
Canonical SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
Isomeric SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
PubChem CID | 14286954 |
分子量 | 650.84 |
溶解性 | DMSO:41 mg/mL (62.99 mM) |
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敏感性 | 对光敏感 |
分子量 | 650.800 g/mol |
XLogP3 | 3.500 |
氢键供体数Hydrogen Bond Donor Count | 7 |
氢键受体数Hydrogen Bond Acceptor Count | 10 |
可旋转键计数Rotatable Bond Count | 5 |
精确质量Exact Mass | 650.403 Da |
单同位素质量Monoisotopic Mass | 650.403 Da |
拓扑极表面积Topological Polar Surface Area | 177.000 Ų |
重原子数Heavy Atom Count | 46 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 1240.000 |
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 | 16 |
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 |
Purity(HPLC) | 97-100(%) |
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NMR Spectrum 1H | Conforms to Structure |