| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M424646-1ml |
1ml |
期货  |
|
| 英文别名 | UNII-1VJB6VV6IA | EX-A3795 | beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))- | CHEBI:81110 | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,2 |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Methylprotodioscin |
| 生化机理 | Methyl protodioscin is a saponin isolated from medical plant Dioscoreaceae that exhibit anticancer properties. It appears that Methyl protodioscin inhibits proliferation and promoted apoptosis of pancreatic cancer through suppression of glycolysis. Methyl protodioscin protects rat brain from I/R injury through down-regulation Mul1 (Mitochondrial E3 ubiquitin ligase 1) and elevation of SOD2 (superoxide dismutase 2) protein levels. |
| 储存温度 | 避光,-80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
甲基原薯蓣皂甙(Methyl protodioscin)是一种具有抗肿瘤活性甾二糖苷，能诱导细胞周期阻滞。 Product Describtion: Methyl protodioscin, a bioactive natural compound isolated from Dioscorea collettii Makino (Dioscoreaceae), has numerous pharmacological activities, including anti-inflammation, lipid-lowering, and anticancer 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,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| INCHI | 1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1 |
| InChi Key | HSSJYSJXBOCKQM-GVTGEURHSA-N |
| Smiles | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC |
| Isomeric SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC |
| 分子量 | 1063.23 |
| Reaxy-Rn | 42293029 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42293029&ln= |
| 敏感性 | 对光敏感 |
|---|---|
| 熔点 | 169-171° C |
| 分子量 | 1063.200 g/mol |
| XLogP3 | -0.700 |
| 氢键供体数Hydrogen Bond Donor Count | 12 |
| 氢键受体数Hydrogen Bond Acceptor Count | 22 |
| 可旋转键计数Rotatable Bond Count | 15 |
| 精确质量Exact Mass | 1062.56 Da |
| 单同位素质量Monoisotopic Mass | 1062.56 Da |
| 拓扑极表面积Topological Polar Surface Area | 335.000 Ų |
| 重原子数Heavy Atom Count | 74 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1920.000 |
| 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 | 31 |
| 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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