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西瑞香素 | 2034-69-7

中文名称
西瑞香素
中文别名
——
英文名称
daphnoretin
英文别名
7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzo-pyran-2-one;7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzopyran-2-one;6-methoxy-7-hydroxy-3,7'-dicoumaric ether;7-hydroxy-6-methoxy-3,7'-dicoumaryl ether;7-hydroxyl-6-methoxy-3,7'-dicoumarylether;6-Methoxy-7-hydroxy-3,7'-dicumarylaether (Daphnoretin);7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
西瑞香素化学式
CAS
2034-69-7
化学式
C19H12O7
mdl
MFCD01082318
分子量
352.3
InChiKey
JRHMMVBOTXEHGJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    245-246℃
  • 沸点:
    639.6±55.0 °C(Predicted)
  • 密度:
    1.501
  • 溶解度:
    DMSO:100.0(最大浓度 mg/mL);283.85(最大浓度 mM)

计算性质

  • 辛醇/水分配系数(LogP):
    3.3
  • 重原子数:
    26
  • 可旋转键数:
    3
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.05
  • 拓扑面积:
    91.3
  • 氢给体数:
    1
  • 氢受体数:
    7

安全信息

  • 海关编码:
    2932209090
  • WGK Germany:
    3
  • 储存条件:
    2-8°C

SDS

SDS:33a6ac5a9905cab951adeb792d9e3d5c
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制备方法与用途

生物活性

Daphnoretin(Dephnoretin, Thymelol)是从Wikstroemia indica C.A. Mey.中提取的一种具有生物活性的化合物,是protein kinase C (PKC) 的激活剂。它通过调节Akt信号通路的活性来抑制肿瘤细胞的增殖、侵袭和迁移,并促进其凋亡。

靶点
Target Value
PKC
Akt
化学性质

Daphnoretin是一种黄色粉末,可溶于甲醇和乙醇,难溶于氯仿、乙醚和丙酮。它来源于了哥王。

用途

西瑞香素具有抗炎、抑菌和抗肿瘤的作用。

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    西瑞香素2-氯乙氧基乙醇potassium carbonate 、 potassium iodide 作用下, 以 丁酮 为溶剂, 生成 7-(2-(2-hydroxyethoxy)ethyl)daphnoretin
    参考文献:
    名称:
    一种西瑞香素衍生物及其应用
    摘要:
    本发明提供了一种西瑞香素衍生物及其,该西瑞香素衍生物,或其立体异构体、水合物、酯、溶剂化物、共晶体、代谢产物、药学上可接受的盐或前药显示出较好的抗肿瘤活性,其抗肿瘤活性明显好于西瑞香素,可以作为一类新型高效低毒的抗肿瘤药物。
    公开号:
    CN108047182B
  • 作为产物:
    描述:
    chamaejasmoside 在 硫酸 作用下, 反应 4.0h, 生成 D-吡喃葡萄糖西瑞香素
    参考文献:
    名称:
    Chemical study of plants of the Mongolian flora coumarins ofStellera chamaejasme: The structure of chamaejasmoside — A new bicoumarin glycoside
    摘要:
    DOI:
    10.1007/bf00630004
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文献信息

  • Croos-B Structure Binding Compounds
    申请人:Gebbink Martijn Frans Ben Gerard
    公开号:US20080267948A1
    公开(公告)日:2008-10-30
    The invention relates to the field of biochemistry, biophysical chemistry, molecular biology, structural biology and medicine. More in particular, the invention relates to cross-β structure conformation. Even more particular, the invention relates to compounds capable of binding to a compound with cross-β structure conformation, i.e. cross-β structure binding compounds and uses thereof.
    本发明涉及生物化学、生物物理化学、分子生物学、结构生物学和医学领域。更具体地说,本发明涉及交叉β结构构象。更具体地说,本发明涉及能够结合具有交叉β结构构象的化合物的化合物,即交叉β结构结合化合物及其用途。
  • Bis-coumarins from Edgeworthia gardneri
    作者:R. Chakrabarti、B. Das、J. Banerji
    DOI:10.1016/s0031-9422(00)85530-2
    日期:1986.1
  • Phenolic Compounds from Carthamus tinctorius
    作者:T. A. Suleimanov
    DOI:10.1023/b:conc.0000025456.09089.84
    日期:2004.1
    The contents of quercetin, luteolin, apigenin, isorhamnetin, umbelliferone, and daphnoretin in common safflower and of acacetin in the flowers were determined based on the physical and chemical properties of the isolated substances.
  • METHODS FOR DIRECTING DIFFERENTIATION OF CLONOGENIC NEURAL STEM CELLS WITH COUMARINS
    申请人:HE Cheng
    公开号:US20090170930A1
    公开(公告)日:2009-07-02
    A method for promoting differentiation of clonogenic neural stem cells (NSCs), comprising administering to a patient in the need of such promoting a coumarin compound represented by formula I or by formula II. The representative coumarin compounds include 7-hydroxycoumarin, daphnoretin, scopoletin, edgeworin, aesculetin and esculetin-6-β-D-glucopyranoside. The coumarin compounds showed significant activity of directing the differentiation of NSCs in pharmacological test and thereof could be used to prepare drugs to direct NSCs differentiated to oligodendrocyte progenitor cells (OPCs) for the treatment of demyelinating diseases or spinal cord injury. The drug could be a pure coumarin compound or a pharmaceutical composition comprising a therapeutical dose of a coumarin compound as active ingredients and a pharmaceutically-acceptable carrier. The content of the active ingredients in the pharmaceutical composition is between 0.1% and 99.5% by weight.
  • USE OF DAPHNORETIN IN THE PREVENTION OF TISSUE OR ORGAN TRANSPLANT REJECTION OR GRAFT-VERSUS-HOST-DISEASE
    申请人:MacKay Memorial Hospital
    公开号:US20190022057A1
    公开(公告)日:2019-01-24
    Disclosed herein are methods of using daphnoretin to treat, prevent or reduce the incidence of organ transplant rejection and graft-versus-host disease (GVHD). According to embodiments of the present disclosure, daphnoretin is administered to the recipient subject or to the donor organ prior to the transplantation to reduce immune response in the recipient subject against the transplanted organ, or to lower the risk of developing GVHD in the recipient subject.
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