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115-53-7 分子结构
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(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5,11-tetraen-13-one

ChemBase编号:72984
分子式:C19H23NO4
平均质量:329.39022
单一同位素质量:329.16270822
SMILES和InChIs

SMILES:
c1(c(c2c(cc1)C[C@H]1[C@@H]3[C@]2(CC(=O)C(=C3)OC)CCN1C)O)OC
Canonical SMILES:
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC
InChI:
InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
InChIKey:
INYYVPJSBIVGPH-QHRIQVFBSA-N

引用这个纪录

CBID:72984 http://www.chembase.cn/molecule-72984.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5,11-tetraen-13-one
(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
IUPAC传统名
sinomenine
别名
Cucoline
Kukoline
Coculine
Sabianine A
Sinomenine
CAS号
115-53-7
PubChem SID
162037904
PubChem CID
5459308

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 5459308 external link

理论计算性质

理论计算性质

JChem
Acid pKa 9.832212  质子受体
质子供体 LogD (pH = 5.5) -1.1205362 
LogD (pH = 7.4) 0.6472067  Log P 1.4476779 
摩尔折射率 92.9974 cm3 极化性 35.338394 Å3
极化表面积 59.0 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
保存条件
-20°C expand 查看数据来源
成盐信息
CHCl3 expand 查看数据来源
Free Base expand 查看数据来源
分类
Rare Genuine Natural Compounds expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals
Selleck Chemicals -  S2359 external link
Research Area: Immunology , Inflammation
Biological Activity:
Sinomenine(Cucoline) is traditionally used in herbal medicine in these countries, as a treatment for rheumatism and arthritis. However its analgesic action against other kinds of pain is limited. Sinomenine is a morphinan derivative, related to opioids such as levorphanol and the non-opioid cough suppressant dextromethorphan. Its anti-rheumatic effects are thought to be primarily mediated via release of histamine, but other effects such as inhibition of prostaglandin, leukotriene and nitric oxide synthesis may also be involved. [1]

参考文献

参考文献

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  • http://en.wikipedia.org/wiki/Sinomenine
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专利

专利

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互联网资源

互联网资源

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