葫芦素D

• 常用名: 葫芦素D
• 英文名: Cucurbitacin D
• CAS号: 3877-86-9
• 分子量: 516.666
• 密度: 1.2±0.1 g/cm3
• 沸点: 684.0±55.0 °C at 760 mmHg
• 分子式: C₃₀H₄₄O₇
• 熔点: 151-152ºC
• 闪点: 381.4±28.0 °C

葫芦素D用途

Cucurbitacin D 是南瓜中的活性成分,可破坏 Hsp90 与两种辅助分子伴侣 Cdc37 和 p23 的相互结合,阻止 Hsp90 客户蛋白 (Her2,Raf,Cdk6,pAkt) 成熟但不诱导热休克反应。具有抗癌作用。

葫芦素D名称

• 中文名: 葫芦素 D
• 英文名: cucurbitacin D
• 中文别名: 葫芦素D | 葫芦苦素D

葫芦素D生物活性

• 描述: Cucurbitacin D 是南瓜中的活性成分,可破坏 Hsp90 与两种辅助分子伴侣 Cdc37 和 p23 的相互结合,阻止 Hsp90 客户蛋白 (Her2,Raf,Cdk6,pAkt) 成熟但不诱导热休克反应。具有抗癌作用。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 代谢酶/蛋白酶 >> HSP
  信号通路 >> 细胞周期/DNA损伤 >> HSP
• 靶点实验:

  HSP90

• 参考文献:

  [1]. Hall JA, et al. Cucurbitacin D Is a Disruptor of the HSP90 Chaperone Machinery. J Nat Prod. 2015 Apr 24;78(4):873-9.

葫芦素D物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 684.0±55.0 °C at 760 mmHg
• 熔点: 151-152ºC
• 分子式: C₃₀H₄₄O₇
• 分子量: 516.666
• 闪点: 381.4±28.0 °C
• 精确质量: 516.308716
• PSA: 132.13000
• LogP: 1.48
• InChIKey: SRPHMISUTWFFKJ-BQTBLMKXSA-N
• SMILES: CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
• 蒸汽压: 0.0±4.8 mmHg at 25°C
• 折射率: 1.582
• 储存条件: 库房低温,通风,干燥,与食品原料分开存放
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  2.氢键供体数量:4

  3.氢键受体数量:7

  4.可旋转化学键数量:4

  5.互变异构体数量:8

  6.拓扑分子极性表面积:132

  7.重原子数量:37

  8.表面电荷:0

  9.复杂度:1100

  10.同位素原子数量:0

  11.确定原子立构中心数量:9

  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

葫芦素D毒性和生态

葫芦素D安全信息

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 29144000

葫芦素D靶点实验

查看更多实验

实验名称：Inhibition of HSP90 in human MCF7 cells assessed as Raf degradation after 24 hrs by W... 来源：ChEMBL 靶标：Heat shock protein HSP 90-alpha External Id：CHEMBL3579799

实验名称：Antifungal activity against Phytophthora cactorum at 10 mg/L in liquid culture medium 来源：ChEMBL 靶标：Phytophthora cactorum External Id：CHEMBL1028473

实验名称：Change in Cdc37 expression in human MCF7 cells at 0.01 to 10 uM after 24 hrs by Weste... 来源：ChEMBL 靶标：MCF7 External Id：CHEMBL3579800

实验名称：Inhibition of HSP90 in human MCF7 cells assessed as Her2 degradation after 24 hrs by ... 来源：ChEMBL 靶标：Heat shock protein HSP 90-alpha External Id：CHEMBL3579797

实验名称：Inhibition of actin polymerization in fMLP-stimulated human neutrophils assessed as p... 来源：ChEMBL 靶标：N/A External Id：CHEMBL1017456

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Inhibition of HSP90 in human MCF7 cells assessed as Cdk6 degradation after 24 hrs by ... 来源：ChEMBL 靶标：Heat shock protein HSP 90-alpha External Id：CHEMBL3579798

实验名称：Cytotoxicity against human JY cells assessed as inhibition of thymidine uptake at 3.3... 来源：ChEMBL 靶标：JY External Id：CHEMBL1017450

实验名称：Cytotoxicity against human JY cells assessed as inhibition of thymidine uptake at 1 u... 来源：ChEMBL 靶标：JY External Id：CHEMBL1017449

实验名称：Change in p23 expression in human MCF7 cells at 0.01 to 10 uM after 24 hrs by Western... 来源：ChEMBL 靶标：MCF7 External Id：CHEMBL3579801

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葫芦素D英文别名

• (2S,4R,9β,16α,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione
• (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
• Elatericine A
• Elatericin A
• (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,4E)-2,6-Dihydroxy-6-methyl-3-oxo-4-hepten-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,4H)-dione
• Cucurbitacin D
• (2S,4R,8ξ,9β,16α,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione
• (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,4E)-2,6-Dihydroxy-6-methyl-3-oxo-4-hepten-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3,11(2H,4H)-dion