7-羟基异黄酮 | 13057-72-2
中文名称:
7-羟基异黄酮
英文名称:
7-Hydroxy-3-phenyl-4H-chromen-4-one
CAS No.:
13057-72-2
分子式:
C1 5 H1 0 O3
分子量:
238.2381
名称和标识符
MDL
MFCD00017701
InChIKey
WMKOZARWBMFKAS-UHFFFAOYSA-N
Inchi
InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
SMILES
C1=CC=C(C=C1)C2=COC3=C(C=CC(=C3)O)C2=O
别名信息
- 中文别名 -
7-羟基异黄酮
乌梅黄酮
7-羟基-3-苯基色烯-4-酮
依普黄酮杂质1
7-羟基-3-苯基色酮
7-羟基-3-苯基苯并吡喃-4-酮
依普黄酮杂质B
7-羟基-3-苯基-色酮
7-羟基-3-苯基-4H-苯并吡喃-4-酮
7-羟基-4'-硝基异黄酮,7-羟基-3-苯基-
- 英文别名 -
7-Hydroxy-3-phenyl-4H-chromen-4-one
3-Phenyl-7-hydroxy-4H-1-benzopyran-4-one
7-Hydroxy-3-phenyl-4H-1-benzopyran-4-one
7-Hydroxy-3-phenylchromone
7-Hydroxy Isoflavone
DARK PLUM FLAVONE
7-HYDROXY-3-PHENYL-CHROMEN-4-ONE
Ipriflavone impurity B
Ipriflavone Impurity 1
7-hydroxy-3-phenyl-4-chromenone
Isoflavone, 7-hydroxy- (6CI,7CI,8CI)
4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
7-Hydroxy-3-phenyl-4H-chromen-4-one AldrichCPR
Black plum flavone
7-hydroxy-3-phenyl-4H-chromen-4-one
物化性质
实验特性
LogP
3.16560
PSA
46.53
折射率
1.666
沸点
450.1°Cat760mmHg
熔点
214.0 to 218.0 deg-C
闪点
176.3°C
最大波长(λmax)
296(MeOH)(lit.)
密度
1.34
计算特性
精确分子量
238.063
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
1
同位素质量
238.062994
重原子数量
18
复杂度
355
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
5
表面电荷
0
拓扑分子极性表面积
46.5
相关文献
1.
Interaction and reactivity of synthetic aminoisoflavones with metal-free and metal-associated amyloid-β
Alaina S. DeToma,Janarthanan Krishnamoorthy,Younwoo Nam,Hyuck Jin Lee,Jeffrey R. Brender,Akiko Kochi,Dongkuk Lee,Valentina Onnis,Cenzo Congiu,Stefano Manfredini,Silvia Vertuani,Gianfranco Balboni,Ayyalusamy Ramamoorthy,Mi Hee Lim Chem. Sci. 2014 5 4851
2.
Development of 3-alkyl-6-methoxy-7-hydroxy-chromones (AMHCs) from natural isoflavones, a new class of fluorescent scaffolds for biological imaging
Jianzhuang Miao,Huaqing Cui,Jing Jin,Fangfang Lai,Hui Wen,Xiang Zhang,Gian Filippo Ruda,Xiaoguang Chen,Dali Yin Chem. Commun. 2015 51 881
3.
238. Synthetical experiments in the chromone group. Part XII. Synthesis of 7-hydroxyisoflavone and of α- and β-naphthaisoflavone
Harbhajan S. Mahal,Harcharan S. Rai,Krishnasami Venkataraman J. Chem. Soc. 1934 1120
4.
Formation of hydridocobalt(iii) phthalocyanine by reaction of cobalt(ii) phthalocyanines with sodium borohydride and its reactions with antioxidant isoflavones
Poonam,Pratibha Kumari,Ritika Nagpal,Shive M. S. Chauhan New J. Chem. 2011 35 2639
5.
Synthesis and tautomerization of hydroxylated isoflavones bearing heterocyclic hemi-aminals
Mykhaylo S. Frasinyuk,Svitlana P. Bondarenko,Volodymyr P. Khilya,Chunming Liu,David S. Watt,Vitaliy M. Sviripa Org. Biomol. Chem. 2015 13 1053
6.
Isoflavonoids of the Leguminosae
Nigel C. Veitch Nat. Prod. Rep. 2009 26 776
7.
The fluorescence and photostabilities of naturally occurring isoflavones
Cara L. Dunford,Gerald J. Smith,Ewald E. Swinny,Kenneth R. Markham Photochem. Photobiol. Sci. 2003 2 611
8.
Photorearrangements of isoflavones
N. Ishibe,S. Yutaka,J. Masui,Y. Ishida J. Chem. Soc. Chem. Commun. 1975 241a
9.
381. A new synthesis of isoflavones. Part I
Wilson Baker,J. Chadderton,J. B. Harborne,W. D. Ollis J. Chem. Soc. 1953 1852
10.
5-Acetoxyisoflavones and their chloro-derivatives
Robert J. Bass J. Chem. Soc. Chem. Commun. 1979 264
参考资料
Reaxys RN
193534
Beilstein
H157355
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