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甲基异茜草素-1-甲醚 | 7460-43-7

甲基异茜草素-1-甲醚
rubiadin-1-methyl ether
7460-43-7
C16H12O4
268.26408
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:甲基异茜草素-1-甲醚结构式
96191
简介
Rubiadin-1-methyl ether 是巴戟天中的蒽醌类化合物,可抑制破骨细胞性骨吸收,通过抑制 NF-κB p65 磷酸化水平,降解 IκBα 蛋白,以及降低 p65 的核转位起作用。
名称和标识符
MDL MFCD12031637
InChIKey NTBUBTCXACOEEC-UHFFFAOYSA-N
Inchi InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
SMILES COC1C(C)=C(O)C=C2C(C3=CC=CC=C3C(=O)C=12)=O
别名信息
- 中文别名 -
  • 甲基异茜草素-1-甲醚
  • 3-羟基-1-甲氧基-2-甲基蒽醌
  • 茜根定-1-甲醚
  • 甲基异茜草素-1-甲醚对照品
  • 1-甲醚甲基异茜草
- 英文别名 -
  • rubiadin-1-methyl ether
  • rubiadin 1-methyl ether
  • 1,3-dimethoxy-2-methylanthraquinone
  • 3-hydroxy-1-methoxy-2-methyl-9,10-anthraquinone
  • 3-Hydroxy-1-methoxy-2-methyl-anthrachinon
  • 3-Hydroxy-1-methoxy-2-methylanthraquinone
  • 9,10-Anthracenedione,3-hydroxy-1-methoxy-2-methyl
  • [ "" ]
  • Rubiadin-1-methyl ether
  • AC-34253
  • NSC59063
  • 9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-
  • F17682
  • 3-HYDROXY-1-METHOXY-2-METHYL-9,10-ANTHRACENEDIONE
  • NSC 59063
  • 3-hydroxy-1-methoxy-2-methyl-anthracene-9,10-dione
  • 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione
  • DTXSID80225572
  • MFCD12031637
  • AKOS015897180
  • 3-Hydroxy-1-methoxy-2-methyl-anthraquinone
  • NCIOpen2_002551
  • MK2IXH6AUE
  • NSC-59063
  • ANTHRAQUINONE, 3-HYDROXY-1-METHOXY-2-METHYL-
  • HY-N1956
  • CHEMBL3921530
  • MS-23789
  • UNII-MK2IXH6AUE
  • CS-0018274
  • 7460-43-7
  • SCHEMBL16227041
  • 1-Methoxy-2-methyl-3-hydroxy-anthrachinon
  • Rubiadin 1-methyl ether
  • FT-0698923
物化性质
实验特性
LogP 2.48460
PSA 63.60000
折射率 1.649
沸点 502.2°C at 760 mmHg
蒸气压 0.0±1.3 mmHg at 25°C
闪点 193°C
颜色与性状 Orange powder
密度 1.356
计算特性
精确分子量 268.07400
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 1
同位素质量 268.074
重原子数量 20
复杂度 419
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.8
互变异构体数量 9
表面电荷 0
拓扑分子极性表面积 63.6A^2
分子量 268.26
海关数据
海关编码 2914690090
海关数据

中国海关编码:

2914690090

概述:

2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

Summary:

2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

相关文献
  • 1. 116. Chemistry of the Coprosma genus. Part I. The colouring matters from Coprosma australis
    Lindsay H. Briggs,Jack C. Dacre J. Chem. Soc. 1948 564
  • 2. 117. Chemistry of the Coprosma genus. Part II. The colouring matters from Coprosma areolata
    Lindsay H. Briggs,Margot R. Craw,Jack C. Dacre J. Chem. Soc. 1948 568
  • 3. Chemistry of the Coprosma genus. Part XIV. Constituents of five New Zealand species
    Lindsay H. Briggs,John F. Beachen,Richard C. Cambie,Nicholas P. B. Dudman,Allan W. Steggles,Peter S. Rutledge J. Chem. Soc. Perkin Trans. 1 1976 1789
  • 4. Naturally occurring quinones. Part XIII. Anthraquinones and related naphthalenic compounds in Galium spp. and in Asperula odorata
    A. R. Burnett,R. H. Thomson J. Chem. Soc. C 1968 854
  • 5. Fruits and their phytochemicals in mitigating the ill effects of ionizing radiation: review on the existing scientific evidence and way forward
    Shamprasad Varija Raghu,Suresh Rao,Venkataramana Kini,Avinash Kundadka Kudva,Thomas George,Manjeshwar Shrinath Baliga Food Funct. 2023 14 1290
  • 6. Health functions and structure–activity relationships of natural anthraquinones from plants
    Yu Li,Jian-Guo Jiang Food Funct. 2018 9 6063
  • 7. Index of subjects, 1948
    J. Chem. Soc. 1948 2343
  • 8. Notes
    J. Quarterman,T. S. Stevens,G. D. Parkes,K. J. Clark,R. L. Huang,M. Balasubramanian,V. Baliah,T. Rangarajan,Lindsay H. Briggs,A. R. Taylor,M. Z. Barakat,S. K. Shehab,M. M. El-Sadr,G. Hetherington,D. R. Hub,M. J. Nichols,P. L. Robinson,F. G. Baddar,H. A. Fahim,A. M. Fleifel,V. Gold,J. Hilton,E. N. Morgan,E. M. Tanner,C. Eaborn,R. A. Shaw,G. W. H. Cheeseman J. Chem. Soc. 1955 3292
专业数据库参考
PubChemId 96191
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

COC1=C2C(=CC(O)=C1C)C(=O)C3C(=CC=CC=3)C2=O

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