秦皮素结构式
|
常用名 | 秦皮素 | 英文名 | Fraxetin |
|---|---|---|---|---|
| CAS号 | 574-84-5 | 分子量 | 208.167 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 472.0±45.0 °C at 760 mmHg | |
| 分子式 | C10H8O5 | 熔点 | 230-232°C | |
| MSDS | 中文版 美版 | 闪点 | 196.0±22.2 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
秦皮素用途Fraxetin 是从 Cortex Fraxini 中分离出来的。 Fraxetin 具有抗肿瘤,抗氧化作用和抗炎作用。 Fraxetin 诱导细胞凋亡 (apoptosis)。 |
| 中文名 | 秦皮素 |
|---|---|
| 英文名 | 7,8-dihydroxy-6-methoxychromen-2-one |
| 中文别名 | 7,8-二羟基-6-甲氧基-2-苯并吡喃酮 | 秦皮亭 | 7,8-二羟基-6-甲氧基香豆素 | 秦皮亭;白蜡树内酯 |
| 英文别名 | 更多 |
| 描述 | Fraxetin 是从 Cortex Fraxini 中分离出来的。 Fraxetin 具有抗肿瘤,抗氧化作用和抗炎作用。 Fraxetin 诱导细胞凋亡 (apoptosis)。 |
|---|---|
| 相关类别 | |
| 参考文献 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 472.0±45.0 °C at 760 mmHg |
| 熔点 | 230-232°C |
| 分子式 | C10H8O5 |
| 分子量 | 208.167 |
| 闪点 | 196.0±22.2 °C |
| 精确质量 | 208.037170 |
| PSA | 79.90000 |
| LogP | 0.59 |
| InChIKey | HAVWRBANWNTOJX-UHFFFAOYSA-N |
| SMILES | COc1cc2ccc(=O)oc2c(O)c1O |
| 外观性状 | 淡黄色结晶片 |
| 蒸汽压 | 0.0±1.2 mmHg at 25°C |
| 折射率 | 1.648 |
| 储存条件 | 常温,密闭,避光,通风干燥处 |
| 稳定性 | 淡黄色片状结晶加热则色变深,近熔点是成褐色。微溶于乙醚和沸水, 遇三渌三渌化铁时显蓝绿色。 常温常压下稳定 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.2 2.氢键供体数量:2 3.氢键受体数量:5 4.可旋转化学键数量:1 5.互变异构体数量:16 6.拓扑分子极性表面积76 7.重原子数量:15 8.表面电荷:0 9.复杂度:288 10.同位素原子数量:0 11.确定原子立构中心数量:0 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:0 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:片状结晶 2. 密度(g/mL,25/4℃): 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):230-232 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5.2kPa):未确定 7. 折射率: 8. 闪点(ºC):>110 9. 比旋光度(º): 10. 自燃点或引燃温度(ºC): 11. 蒸气压(kPa,25ºC): 12. 饱和蒸气压(kPa,60ºC): 13. 燃烧热(KJ/mol): 14. 临界温度(ºC): 15. 临界压力(KPa): 16. 油水(辛醇/水)分配系数的对数值: 17. 爆炸上限(%,V/V): 18. 爆炸下限(%,V/V): 19. 溶解性:微溶于沸水 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302 + H312 + H332-H315-H319-H335 |
| 警示性声明 | P261-P280-P305 + P351 + P338 |
| 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) | R20/21/22;R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2932209090 |
| 秦皮素上游产品 8 | |
|---|---|
| 秦皮素下游产品 6 | |
| 海关编码 | 2932209090 |
|---|---|
| 中文概述 | 2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
[Studies on chemical constituents from stem barks of Fraxinus paxiana].
Zhongguo Zhong Yao Za Zhi 33(16) , 1990-3, (2008) To investigate the chemical constituents of Fraxinus paxiana.The chemical constituents were isolated and purified by chromatographic techniques and the structures of the compounds were identified with... |
|
|
Antihyperglycemic effect of fraxetin on hepatic key enzymes of carbohydrate metabolism in streptozotocin-induced diabetic rats.
Biochimie 95(10) , 1848-54, (2013) Epidemiological studies have demonstrated that the diabetes mellitus is a serious health burden for both governments and healthcare providers. The present study was hypothesized to evaluate the antihy... |
|
|
[Coumarins from branch of Fraxinus sieboldiana and their antioxidative activity].
Zhongguo Zhong Yao Za Zhi 33(14) , 1708-10, (2008) To investigate the chemical constituents from the branch of Fraxinus sieboldiana, and evaluate their antioxidative activity.The chemical constituents were isolated and purified by chromatographic tech... |
|
实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
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
|
|
实验名称:Induction of apoptosis in human U937 cells assessed as active 11 kDa fragment of casp...
来源:ChEMBL
靶标:U-937
External Id:CHEMBL2209386
|
|
实验名称:ERK5 transcriptional activity HTS
来源:24565
靶标:N/A
External Id:ERK5 transcriptional activity-HTS
|
|
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
|
|
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
|
|
实验名称:Cytotoxicity against human U937 cells after 48 hrs by trypan blue assay
来源:ChEMBL
靶标:U-937
External Id:CHEMBL2209398
|
|
实验名称:Antiproliferative activity against human U937 cells assessed as incorporation of [3H]...
来源:ChEMBL
靶标:U-937
External Id:CHEMBL2209399
|
|
实验名称:Inhibition of clonogenic activity in human U937 cells assessed as reduction of colony...
来源:ChEMBL
靶标:U-937
External Id:CHEMBL2209396
|
|
实验名称:Cell cycle arrest in human U937 cells assessed as accumulation at sub-G0/G1 phase at ...
来源:ChEMBL
靶标:U-937
External Id:CHEMBL2209397
|
| EINECS 209-376-2 |
| 6-methoxy-7,8-dihydroxycoumarin |
| 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one |
| 2H-1-Benzopyran-2-one,7,8-dihydroxy-6-methoxy |
| 7,8-Dihydroxy-6-methoxycoumarin |
| 7,8-dihydroxy-6-methoxy-benzopyran-2-one |
| 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one |
| Fraxetin |
| MFCD00006873 |