苯酚,2-甲氧基-5-[(1E)-2-(3,4,5-三甲氧基苯基)乙烯基]- | 117048-62-1
苯酚,2-甲氧基-5-[(1E)-2-(3,4,5-三甲氧基苯基)乙烯基]-
Phenol, 2-methoxy-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
117048-62-1
C19H23O10PS
474.41872
名称和标识符
InChIKey |
HVXBOLULGPECHP-AATRIKPKSA-N |
Inchi |
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5+ |
SMILES |
COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O |
别名信息
- 英文别名 -
- Phenol, 2-methoxy-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
- 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- Combrestatin A4
- trans-(E)-Combretastatin
- ND-2980
- 2-Methoxy-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- NSC613729
- Trans-Combretastatin A-4
- HVXBOLULGPECHP-AATRIKPKSA-N
- 117048-62-1
- AKOS015915109
- ND4BUQ9WHL
- From Combretum caffrum plant
- 2-Methoxy-5-((1E)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenol
- Phenol, 2-methoxy-5-((1E)-2-(3,4,5-trimethoxyphenyl)ethenyl)-
- 2-methoxy-5-(3,4,5-trimethoxystyryl)phenol
- BDBM50009561
- 2-Methoxy-5-[(E)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol
- (E)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenol
- NSC609397
- CCG-35662
- 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]phenol
- trans-2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol
- B817373K328
- SCHEMBL18946
- CCG-36400
- CHEMBL36455
- E-Combretastatin A-4
- NSC-609397
- UNII-ND4BUQ9WHL
- J-003498
- 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol
- 2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- A803704
- Combretastatin A4, trans-
- SCHEMBL9707931
- 2-Methoxy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)phenol
物化性质
实验特性
LogP |
3.59700 |
PSA |
57.15000 |
计算特性
精确分子量 |
316.13100 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
6 |
同位素质量 |
316.13107373g/mol |
重原子数量 |
23 |
复杂度 |
358 |
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 |
1 |
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) |
3.7 |
拓扑分子极性表面积 |
57.2Ų |