1-[(5-羟基-4-甲氧基-1-环己-2-烯基)甲基]-6-甲氧基-7-异喹啉醇 | 13168-51-9
中文名称:
1-[(5-羟基-4-甲氧基-1-环己-2-烯基)甲基]-6-甲氧基-7-异喹啉醇
英文名称:
7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-
CAS No.:
13168-51-9
分子式:
C1 8 H2 1 NO4
分子量:
315.36364
名称和标识符
InChIKey
FVEMXQCEJGGXJB-UHFFFAOYSA-N
Inchi
InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3
SMILES
OC1=C(OC)C=CC(CC2C3C(=CC(OC)=C(O)C=3)CCN2)=C1
别名信息
- 中文别名 -
1-[(5-羟基-4-甲氧基-1-环己-2-烯基)甲基]-6-甲氧基-7-异喹啉醇
- 英文别名 -
7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-
1-[(5-hydroxy-4-methoxycyclohex-2-en-1-yl)methyl]-6-methoxyisoquinolin-7-ol
norreticuline
1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-, (+-)-
1-(3-Hydroxy-4-methoxybenzyl)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
1-(3-Hydroxy-4-methoxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-7-isoquinolinol
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-Methoxyphenyl)Methyl]-6-Methoxy-
DTXSID90927318
13168-51-9
物化性质
实验特性
PSA
70.95
折射率
1.605
沸点
519.5°C at 760 mmHg
闪点
268°C
密度
1.234
计算特性
精确分子量
315.14713
氢键供体数量
3
氢键受体数量
5
可旋转化学键数量
4
同位素质量
315.147
重原子数量
23
复杂度
380
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
1
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)
2.1
拓扑分子极性表面积
71A^2
相关文献
1.
697. Alkaloid biosynthesis. Part IV. 1-Benzylisoquinolines as precursors of thebaine, codeine, and morphine
A. R. Battersby,R. Binks,R. J. Francis,D. J. McCaldin,H. Ramuz J. Chem. Soc. 1964 3600
2.
Biosynthesis of the morphinandienone alkaloid, sebiferine
Dewan S. Bhakuni,Virendra K. Mangla,Awadhesh N. Singh,Randhir S. Kapil J. Chem. Soc. Perkin Trans. 1 1978 267
3.
(S)-Norreticuline is the precursor for the biosynthesis of Erythrina alkaloids
Ulrich H. Maier,Meinhart H. Zenk Chem. Commun. 1997 2313
4.
Biosynthesis of reticuline
Dewan S. Bhakuni,Awadhesh N. Singh,Shobha Tewari,Randhir S. Kapil J. Chem. Soc. Perkin Trans. 1 1977 1662
5.
Biosynthesis of the abnormal Erythrina alkaloids, cocculidine and cocculine
Dewan S. Bhakuni,Awadhesh N. Singh J. Chem. Soc. Perkin Trans. 1 1978 618
6.
Biosynthesis of isocorydine (1,2,10-trimethoxy-6aα-aporphin-11-ol)
Om Prakash,Dewan S. Bhakuni,Randhir S. Kapil J. Chem. Soc. Perkin Trans. 1 1978 622
7.
Alkaloid biosynthesis. Part XI. Studies related to the formation and oxidation of reticuline in morphine biosynthesis
A. R. Battersby,D. M. Foulkes,M. Hirst,G. V. Parry,J. Staunton J. Chem. Soc. C 1968 210
8.
Biosynthesis of boldine (1,10-dimethoxy-6aα-aporphine-2,9-diol)
Dewan S. Bhakuni,Shobha Tewari,Randhir S. Kapil J. Chem. Soc. Perkin Trans. 1 1977 706
1-[(5-羟基-4-甲氧基-1-环己-2-烯基)甲基]-6-甲氧基-7-异喹啉醇推荐生产厂家