表木兰脂素A | 41689-51-4
中文名称:
表木兰脂素A
英文名称:
(+)-magnolin
CAS No.:
41689-51-4
分子式:
C2 3 H2 8 O7
分子量:
416.464
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:表木兰脂素A结构式
名称和标识符
InChIKey
MFIHSKBTNZNJIK-FRMGNDQPSA-N
Inchi
InChI=1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22-/m0/s1
SMILES
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
别名信息
- 英文别名 -
5-methoxyeudesmin
magnolin
medioresinol dimethyl ether
Epimagnolin A
(+)-magnolin
(1S,3aβ,6aβ)-1β-(3,4-Dimethoxyphenyl)-3a,4,6,6a-tetrahydro-4α-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
(+)-epi-Magnolin
Epimagnolin
epi-Magnolin
41689-51-4
(+)-epimagnolin A
E88989
(3R,3aS,6S,6aS)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CHEMBL453302
(1S,3abeta,6abeta)-1beta-(3,4-Dimethoxyphenyl)-3a,4,6,6a-tetrahydro-4alpha-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
BCP10271
CHOLESTERYLBUTYLETHER
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
FT-0775659
AKOS032948590
A911444
AC-34052
HY-N5107
MS-27242
AKOS040760381
(1S,3aR,4R,6aR)-1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan
(3S,3Ar,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CS-0032387
物化性质
实验特性
溶解度
几乎不溶 (0.028 g/L) (25 ºC),
颜色与性状
Powder
密度
1.178±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
416.184
氢键供体数量
0
氢键受体数量
7
可旋转化学键数量
7
同位素质量
416.184
重原子数量
30
复杂度
532
同位素原子数量
0
确定原子立构中心数量
4
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)
2.9
拓扑分子极性表面积
64.6A^2
分子量
416.5
相关文献
1.
Antiproliferative potential of Physalis peruviana-derived magnolin against pancreatic cancer: a comprehensive in vitro and in silico study
Ahmed M. Sayed,Seham S. El-Hawary,Usama Ramadan Abdelmohsen,Mosad A. Ghareeb Food Funct. 2022 13 11733
2.
Bioassay-guided isolation of bisepoxylignans from the flower buds of Magnolia biondii Pamp and their antiallergic effects
Xing Zhang,Fei Qian,Jun-Jie Tan,Fu-Jiang Guo,Marianna Kulka,Jin-Wen Xu,Yi-Ming Li RSC Adv. 2017 7 34236
3.
An update on bioactive plant lignans
Muhammad Saleem,Hyoung Ja Kim,Muhammad Shaiq Ali,Yong Sup Lee Nat. Prod. Rep. 2005 22 696
4.
Lignans, neolignans and related compounds
Robert S. Ward Nat. Prod. Rep. 1997 14 43
5.
Lignans, neolignans, and related compounds
R. S. Ward Nat. Prod. Rep. 1995 12 183
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