人参炔醇 | 81203-57-8
中文名称:
人参炔醇
英文名称:
Panaxynol
CAS No.:
81203-57-8
分子式:
C1 7 H2 4 O
分子量:
244.371865272522
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:人参炔醇结构式
名称和标识符
MDL
MFCD28964216
InChIKey
UGJAEDFOKNAMQD-MQNTZWLQSA-N
Inchi
1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1
SMILES
C(C#C[C@@H](O)C=C)#CC/C=C\CCCCCCC
别名信息
- 中文别名 -
人参炔醇
(S)-人参炔醇
(+)-镰叶芹醇
(3S,9Z)-1,9-十七碳二烯-4,6-二炔-3-醇
- 英文别名 -
1,9-Heptadecadiene-4,6-diyn-3-ol,(3S,9Z)-
Panaxynol
PANAXYNOL(AS)
Falcarinol
(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
(+)-Falcarinol
1,9-Heptadecadiene-4,6-diyn-3-ol, (3S,9Z)-
(S)-Falcarinol
(3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
(S,Z)-Heptadeca-1,9-dien-4,6-diyn-3-ol
(3S)-Falcarinol
NSC692928
(S,Z)-heptadeca-1,9-dien-4,6-diyne-3-ol
C17447
Q27155051
(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol (ACI)
1,9-Heptadecadiene-4,6-diyn-3-ol, [S-(Z)]- (ZCI)
CHEBI:81095
CHEMBL368712
CS-0032773
81203-57-8
NSC-692928
UGJAEDFOKNAMQD-MQNTZWLQSA-N
SCHEMBL40768
HY-N6241
AKOS040760616
FS-8091
DTXSID101317380
(S)-Panaxynol
(S)-Carotatoxin
物化性质
实验特性
LogP
3.84690
PSA
20.23000
折射率
1.507
沸点
370.6±42.0 °C at 760 mmHg
熔点
Not available
蒸气压
0.0±1.9 mmHg at 25°C
闪点
163.4±20.9 °C
溶解度
Insuluble (2.1E-4 g/L) (25 ºC),
颜色与性状
Oil
密度
0.931±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
244.182715385 g/mol
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
9
同位素质量
244.182715385 g/mol
重原子数量
18
复杂度
363
同位素原子数量
0
确定原子立构中心数量
1
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)
5.5
拓扑分子极性表面积
20.2
分子量
244.37
生产方法和用途
用途
测定多种金属的试剂。临床检验隐血。有机合成。染料中间体。用于制取直接深棕M、直接元青、直接绿B、硫化黄GC、联苯胺黄色淀及偶氮缩合型有机颜料等。
生产方法
由硝基苯还原生成氢化偶氮苯,再经重排而得。
相关文献
1.
The structure of carotatoxin, a natural toxicant from carrot
R. K. Bentley,V. Thaller Chem. Commun. (London) 1967 439
2.
Polyacetylenes from carrots (Daucus carota) improve glucose uptake in vitro in adipocytes and myotubes
Rime B. El-Houri,Dorota Kotowska,Kathrine B. Christensen,Sumangala Bhattacharya,Niels Oksbjerg,Gerhard Wolber,Karsten Kristiansen,Lars P. Christensen Food Funct. 2015 6 2135
3.
A DFT analysis on the radical scavenging activity of oxygenated terpenoids present in the extract of the buds of Cleistocalyx operculatus
Thi Chinh Ngo,Duy Quang Dao,Minh Thong Nguyen,Pham Cam Nam RSC Adv. 2017 7 39686
4.
Dietary polyacetylenes, falcarinol and falcarindiol, isolated from carrots prevents the formation of neoplastic lesions in the colon of azoxymethane-induced rats
Morten Kobaek-Larsen,Rime B. El-Houri,Lars P. Christensen,Issam Al-Najami,Xavier Fretté,Gunnar Baatrup Food Funct. 2017 8 964
5.
Panaxynol attenuates CUMS-induced anxiety and depressive-like behaviors via regulating neurotransmitters, synapses and the HPA axis in mice
Xialin Sun,Tingwen Zhang,Yan Zhao,Enbo Cai,Hongyan Zhu,Shuangli Liu Food Funct. 2020 11 1235
6.
A comparative volatilomic characterization of Florence fennel from different locations: antiviral prospects
Nehal Ibrahim,Ashaimaa Y. Moussa Food Funct. 2021 12 1498
7.
Essential oils of three cow parsnips – composition and activity against nosocomial and foodborne pathogens and food contaminants
Ljubo? U?jak,Silvana Petrovi?,Milica Drobac,Marina Sokovi?,Tatjana Stanojkovi?,Ana ?iri?,Marjan Niketi? Food Funct. 2017 8 278
8.
Natural nematicidal metabolites and advances in their biocontrol capacity on plant parasitic nematodes
Guo-Hong Li,Ke-Qin Zhang Nat. Prod. Rep. 2023 40 646
9.
Electrophilic natural products and their biological targets
Malte Gersch,Johannes Kreuzer,Stephan A. Sieber Nat. Prod. Rep. 2012 29 659
10.
Correction: Chemical proteomics approaches for identifying the cellular targets of natural products
M. H. Wright,S. A. Sieber Nat. Prod. Rep. 2016 33 731
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