勒胖停; 土大黄苷结构式
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常用名 | 勒胖停; 土大黄苷 | 英文名 | Rhaponiticin |
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| CAS号 | 155-58-8 | 分子量 | 420.410 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 749.3±60.0 °C at 760 mmHg | |
| 分子式 | C21H24O9 | 熔点 | 236-240ºC | |
| MSDS | 中文版 美版 | 闪点 | 406.9±32.9 °C |
勒胖停; 土大黄苷用途Rhapontin (Rhaponiticin) 是大黄 (Rheum officinale Baillon) 的一种成分。Rhaponiticin 可诱导凋亡 (apoptosis),从而抑制人胃癌 KATO III 细胞增殖。 |
| 中文名 | 勒胖停 |
|---|---|
| 英文名 | rhapontin |
| 中文别名 | 大黄素荧光指示剂 | 土大黄苷 | 土大黄苷 | 土大黄素.食用大黄素 |
| 英文别名 | 更多 |
| 描述 | Rhapontin (Rhaponiticin) 是大黄 (Rheum officinale Baillon) 的一种成分。Rhaponiticin 可诱导凋亡 (apoptosis),从而抑制人胃癌 KATO III 细胞增殖。 |
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| 相关类别 | |
| 参考文献 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 749.3±60.0 °C at 760 mmHg |
| 熔点 | 236-240ºC |
| 分子式 | C21H24O9 |
| 分子量 | 420.410 |
| 闪点 | 406.9±32.9 °C |
| 精确质量 | 420.142029 |
| PSA | 149.07000 |
| LogP | 0.68 |
| InChIKey | GKAJCVFOJGXVIA-DXKBKAGUSA-N |
| SMILES | COc1ccc(C=Cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)cc1O |
| 外观性状 | 淡黄色 |
| 蒸汽压 | 0.0±2.6 mmHg at 25°C |
| 折射率 | 1.711 |
| 储存条件 | 密封保存。 |
| 计算化学 | 1、 疏水参数计算参考值(XlogP):0.5 2、 氢键供体数量:6 3、 氢键受体数量:9 4、 可旋转化学键数量:6 5、 互变异构体数量:8 6、 拓扑分子极性表面积(TPSA):149 7、 重原子数量:30 8、 表面电荷:0 9、 复杂度:559 10、同位素原子数量:0 11、确定原子立构中心数量:5 12、不确定原子立构中心数量:0 13、确定化学键立构中心数量:1 14、不确定化学键立构中心数量:0 15、共价键单元数量:1 |
| 更多 | 1. 性状:结晶。有亮蓝色荧光。 2. 密度(g/mL,25 ℃ ):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):236-237 5. 沸点(ºC,常压):未确定6. 沸点(ºC,1mmHg):未确定 7. 折射率(n20/D):未确定 8. 闪点(ºC:未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(mPa,20ºC):未确定 12. 饱和蒸气压(kPa,25ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:溶于稀乙醇、热丙酮和热水,微溶于乙醚、乙醇、丙酮和冷水,几乎不溶于苯、石油醚和氯仿。 |
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~80%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Csuk, Rene; Albert, Sabrina Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 2011 , vol. 66, # 3 p. 311 - 316 |
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~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Chemical and Pharmaceutical Bulletin, , vol. 32, # 9 p. 3501 - 3517 |
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~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Kashiwada, Yoshiki; Nonaka, Gen-ichiro; Nishioka, Itsuo Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 9 p. 3501 - 3517 |
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~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Agricultural and Biological Chemistry, , vol. 53, # 10 p. 2827 - 2829 |
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~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Kashiwada, Yoshiki; Nonaka, Gen-ichiro; Nishioka, Itsuo Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 9 p. 3501 - 3517 |
|
~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, , vol. 66, # 3 p. 311 - 316 |
|
~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, , vol. 66, # 3 p. 311 - 316 |
|
~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, , vol. 66, # 3 p. 311 - 316 |
|
~%
勒胖停; 土大黄苷 155-58-8 |
| 文献:Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, , vol. 66, # 3 p. 311 - 316 |
| 勒胖停; 土大黄苷上游产品 5 | |
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| 勒胖停; 土大黄苷下游产品 1 | |
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
来源:11924
靶标:N/A
External Id:CGM data for Cell Systems paper Dec 2015
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实验名称:Antitumor activity against FR-positive human KB cells assessed as decrease in cell vi...
来源:ChEMBL
靶标:KB
External Id:CHEMBL2318170
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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实验名称:Inhibitory activity against nitric oxide production in LPS-activated mouse peritoneal...
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL739443
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实验名称:Identification of agents that induce E-selectin on human endothelial cells Measured i...
来源:Broad Institute
靶标:E-Selectin
External Id:2152-01_Activator_SinglePoint_HTS_Activity
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| EINECS 205-845-0 |
| 3-Hydroxy-5-[2-(3-hydroxy-4-melhoxyphenyl)ethenyl]phenyl b-D-Glucopyranoside |
| 3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl β-D-glucopyranoside |
| Rhapontin |
| Rhaponticin |
| Rhaponiticin |
| RHAPONTIN,TECH. |
| β-D-Glucopyranoside, 3-hydroxy-5-(2-(3-hydroxy-4-methoxyphenyl)ethenyl)phenyl (9CI) |
| 3-Hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl-β-D-glucopyranoside |
| (2S,3R,4S,5S,6R)-2-{3-Hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| 3-Hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl β-D-glucopyranoside |
| 4'-Methoxy-3,3',5-stilbenetriol 3-Glucoside |
| β-D-Glucopyranoside de 3-hydroxy-5-[(E)-2-(3-hydroxy-4-méthoxyphényl)éthènyl]phényle |
| trans-Rhapontin |
| MFCD00010117 |
| β-D-Glucopyranoside, 3-hydroxy-5-[2- (3-hydroxy-4-methoxyphenyl)ethenyl]phenyl |
| (2S,3R,4S,5S,6R)-2-{3-Hydroxy-5-[(E)-2-(3-hydroxy-4-méthoxyphényl)éthènyl]phénoxy}-6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol |
| β-D-Glucopyranoside, 3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl |
| RHAMNOSE,L-(+)-(P) |
| β-D-Glucopyranoside, 3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl |
| 3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl β-glucopyranoside |
| Ponticin |