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| 描述 |
Harpagoside 是从 Harpagophytum procumbens (Hp) 中分离出来的。 Harpagoside 对 COX-1 和 COX-2 活性具有抑制作用，并抑制 NO 的产生。 |
|---|---|
| 相关类别 |
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| 靶点 |
COX-1
COX-2
|
| SMILES |
O[C@H]1[C@H](O)[C@@H](O)[C@]([H])(O[C@@H]2OC=C[C@]3(O)[C@@]2([H])[C@@](C)(OC(/C=C/C4=CC=CC=C4)=O)C[C@H]3O)O[C@@H]1CO |
| 参考文献 |
|
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 720.7±60.0 °C at 760 mmHg |
| 熔点 | 120?C (dec.) |
| 分子式 | C24H30O11 |
| 分子量 | 494.488 |
| 闪点 | 244.3±26.4 °C |
| 精确质量 | 494.178802 |
| PSA | 175.37000 |
| LogP | -0.92 |
| 外观性状 | 白色至灰白色粉末 |
| 蒸汽压 | 0.0±2.4 mmHg at 25°C |
| 折射率 | 1.660 |
| 储存条件 | 2-8°C |
| 计算化学 |
1.疏水参数计算参考值（XlogP）:-0.6 2.氢键供体数量:6 3.氢键受体数量:11 4.可旋转化学键数量:7 5.互变异构体数量:无 6.拓扑分子极性表面积:175 7.重原子数量:35 8.表面电荷:0 9.复杂度:811 10.同位素原子数量:0 11.确定原子立构中心数量:10 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 |
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|
| 符号 |
GHS07 |
|---|---|
| 信号词 |
Warning |
| 危害声明 |
H302 |
| 警示性声明 |
P301 + P312 + P330 |
| 个人防护装备 |
dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) |
Xn: Harmful; |
| 风险声明 (欧洲) |
R22 |
| 安全声明 (欧洲) |
22-45 |
| 危险品运输编码 | UN 3172 |
|
What the devil is in your phytomedicine? Exploring species substitution in Harpagophytum through chemometric modeling of 1H-NMR and UHPLC-MS datasets. Phytochemistry 106 , 104-15, (2014)
Harpagophytum procumbens (Pedaliaceae) and its close taxonomical ally Harpagophytum zeyheri, indigenous to southern Africa, are being harvested for exportation to Europe where phytomedicines are devel…
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Metabolic differentiations and classification of Verbascum species by NMR-based metabolomics. Phytochemistry 72(16) , 2045-51, (2011)
The genus Verbascum L. (mulleins) comprises of about 360 species of flowering plants in the Scrophulariaceae family. Mulleins have been used in the traditional folk medicine for centuries, for treatme…
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[Simultaneous determination of five constituents in Scrophularia ningpoensis by HPLC]. Zhongguo Zhong Yao Za Zhi 36(6) , 709-11, (2011)
To develop an HPLC method for the simultaneous quantitation of five constituents in Scrophularia ningpoensis.Samples were analyzed on an Agilent SB-C18 column(4.6 mm x 250 mm, 5 microm) eluted with ac…
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8′-CINNAMOYLHARPAGIDE |
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1-(Hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl 3-phenylacrylate |
|
2-Propenoic acid, 3-phenyl-, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methylcyclopenta[c]pyran-7-yl ester |
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Harpagosid |
|
MFCD00017415 |
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8-O-E CINNAMOYL HARPAGIDE |
|
Harpogoside |
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Einecs 242-881-6 |
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