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大叶茜草素

    级别和纯度:
  • 10mM in DMSO
  • CAS编号: 55481-88-4
  • 分子式: C17H16O4
  • 分子量: 284.31
  • PubChem编号: 124219
有货

库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
M424723-1ml
1ml 现货 Stock Image

基本描述

别名 大叶茜草素,6-羟基-2,2-二甲基-2H-苯并[h]苯并吡喃-5-羧酸甲酯
英文别名 BS-49147 | A870182 | AKOS026750603 | C17H16O4 | SCHEMBL2115949 | CHEBI:141063 | NCGC00093700-01 | 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester | 3'-carbomethoxy-4'-hydroxy-6,6-dimethylnaphtho(1',2'-2,3)pyran | CCRIS 6432 | M
规格或纯度 10mM in DMSO
英文名称 Mollugin
生化机理 Mollugin displays inhibitory activity in arachidonic acid- and collagen-induced platelet aggregation. Mollugin has been reported to inhibit cancer cell proliferation, and has other biological activities including anti-inflammatory and apoptotic effects.
储存温度 -80℃储存
运输条件 超低温冰袋运输
产品介绍


Mollugin is a naphthohydroquinone found in the roots of Rubia cordifolia L. that exhibits antimutagenic, antitumor, and antiviral activities.

关联靶点(人)

SIRT6 Tchem NAD-dependent protein deacetylase sirtuin-6 (671 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Hepatitis B virus (7925 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IIUPAC Name methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
INCHI 1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
InChi Key VLGATXOTCNBWIT-UHFFFAOYSA-N
Smiles CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Isomeric SMILES CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
分子量 284.31
Reaxy-Rn 1433506
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1433506&ln=

化学和物理性质

敏感性 对热敏感
熔点 132 °C
分子量 284.310 g/mol
XLogP3 4.100
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 2
精确质量Exact Mass 284.105 Da
单同位素质量Monoisotopic Mass 284.105 Da
拓扑极表面积Topological Polar Surface Area 55.800 Ų
重原子数Heavy Atom Count 21
形式电荷Formal Charge 0
复杂度Complexity 442.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS07
信号词 警告
危险声明

H302: 吞食有害

预防措施声明

P264: 处理后要彻底洗手。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P330: 漱口

P501: 将内容物/容器处理到。。。

P301+P317: 如果被吞咽:请寻求医疗帮助。

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

此产品的引用文献

引用文献

1. Junyan Wang, Minmin Huang, Haihong Hu, Lushan Yu, Su Zeng.  (2014)  Pregnane X receptor-mediated transcriptional activation of UDP-glucuronosyltransferase 1A1 by natural constituents from foods and herbs.  FOOD CHEMISTRY,  164  (74).  [PMID:24996308] [10.1016/j.foodchem.2014.05.004]

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