106032-53-5 (（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇,(1R)-1-(4-hydroxyphenyl)methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol)

快速询单

结构式：

（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇MOL文件

CAS号：

106032-53-5

中文名称：

（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇

英文名称：

(1R)-1-(4-hydroxyphenyl)methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

分子式：

C₁₆H₁₇NO₃

分子量：

271.311084508896

植物源：

浙江楠

（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇(106032-53-5)名称与标识符

名称

英文别名：

6,7-Isoquinolinediol,1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, (1R)-;(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;(+)-Demethylcoclaurine;(+)-HIGENAMINE;(1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;(1S)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;(R)-Norcoclaurine;(S)-(-)-higenamine;(S)-norcoclaurine;AC1L9ACA;C06347;CHEBI:27751;CHEMBL501778;norcoclaurine;SureCN5898913;(1R)-1-(4-hydroxyphenyl)methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;SCHEMBL5898913;UNII-6016M93W29;6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, (1R)-;Q27103301;6016M93W29;EN300-22053210;DTXSID90331552;6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (1R)-;(R)-(+)-Higenamine;106032-53-5;Higenamine, (+)-;6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (R)-;BDBM50242856;

标识符

MDL：

MFCD30188533

InChIKey：

WZRCQWQRFZITDX-CQSZACIVSA-N

Inchi：

1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1

SMILES：

OC1C(=CC2CCN[C@H](CC3C=CC(=CC=3)O)C=2C=1)O

（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇(106032-53-5)物化性质

实验特性

LogP : 2.56170
PSA : 72.72
折射率 : 1.666
沸点 : 522.4°Cat760mmHg
闪点 : 209.6°C
密度 : 1.317

计算特性

精确分子量 : 271.12091
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 271.121
重原子数量 : 20
复杂度 : 317
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 : 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） : 2.2
拓扑分子极性表面积 : 72.7Å²

（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇(106032-53-5)相关文献

1. Recent advances in chiral discrimination on host–guest functionalized interfaces
Weiwei Xu,Ming Cheng,Siyun Zhang,Qifa Wu,Zhuo Liu,Manivannan Kalavathi Dhinakaran,Feng Liang,Elena G. Kovaleva,Haibing Li Chem. Commun. 2021 57 7480
2. Crystal structure of higenamine [1,2,3,4-tetrahydro-1-(4-hydroxybenzyl)isoquinoline-6,7-diol] hydrobromide
Norio Masaki,Hisao Iizuka,Masami Yokota,Akio Ochiai J. Chem. Soc. Perkin Trans. 1 1977 717
3. Natural alkaloids from lotus plumule ameliorate lipopolysaccharide-induced depression-like behavior: integrating network pharmacology and molecular mechanism evaluation
Sixuan Chen,Wanyi Guo,Xiaoxiao Qi,Jiuyao Zhou,Zhongqiu Liu,Yuanyuan Cheng Food Funct. 2019 10 6062
4. An enzymatic, stereoselective synthesis of (S)-norcoclaurine
Alessandra Bonamore,Irene Rovardi,Francesco Gasparrini,Paola Baiocco,Marco Barba,Carmela Molinaro,Bruno Botta,Alberto Boffi,Alberto Macone Green Chem. 2010 12 1623
5. UPLC-Q-TOF/MS characterization, HPLC fingerprint analysis and species differentiation for quality control of Nigella glandulifera Freyn et Sint seeds and Nigella sativa L. seeds
Qi Yun,Qingwang Liu,Cunyong He,Xiaohua Ma,Xiaoli Gao,Amer Talbi,Jianping Zhou Anal. Methods 2014 6 4845
6. A recent update on the multifaceted health benefits associated with ginger and its bioactive components
Run-Hui Ma,Zhi-Jing Ni,Yun-Yang Zhu,Kiran Thakur,Fan Zhang,Yuan-Yuan Zhang,Fei Hu,Jian-Guo Zhang,Zhao-Jun Wei Food Funct. 2021 12 519
7. Natural product modulators of human sensations and mood: molecular mechanisms and therapeutic potential
Tomá? Pluskal,Jing-Ke Weng Chem. Soc. Rev. 2018 47 1592
8. Recent advances and effective strategies in the discovery and applications of natural products
Jing Xie,Ai-hua Zhang,Hui Sun,Guang-li Yan,Xi-jun Wang RSC Adv. 2018 8 812
9. (±)-Pheharmines A–B, two pairs of racemic alkaloids with a morpholino[4,3,2-hi]β-carboline core, from the roots of Peganum harmala
Sheng-Ge Li,Xu Hu,Qin Zhang,Yan-Hui Zan,Kai-Bo Wang,Chun-Yu Jiang,Jing-Jing Xue,Yong-Xiang Liu,Bin Lin,Yong-Kui Jing,Da-Hong Li,Hui-Ming Hua Org. Biomol. Chem. 2022 20 8528
10. Serum metabolomics reveals betaine and phosphatidylcholine as potential biomarkers for the toxic responses of processed Aconitum carmichaelii Debx
Yong Tan,Joshua Ko,Xinru Liu,Cheng Lu,Jian Li,Cheng Xiao,Li Li,Xuyan Niu,Miao Jiang,Xiaojuan He,Hongyan Zhao,Zhongxiao Zhang,Zhaoxiang Bian,Zhijun Yang,Ge Zhang,Weidong Zhang,Aiping Lu Mol. BioSyst. 2014 10 2305

54417-53-7(R-四氢碱盐酸盐) 6873-13-8(黄柏碱) 13425-06-4(异喹啉，1,2,3,4-四氢-6,7-二甲氧基-1-[（4-甲氧基苯基）甲基]-2-甲基-) 50896-90-7(R-四氢罂粟碱) 13074-31-2(1,2,3,4-四氢罂粟碱) 1699-51-0(劳丹素(半日花素)) 784142-83-2(1-(3-溴苯基)-5-甲基-1H-吡唑-3-羧酰胺) 791614-77-2(ETHYL 2-(5-BROMOBENZO[D]THIAZOL-2-YL)ACETATE)

结构相似化合物

R-四氢碱盐酸盐
CAS: 54417-53-7
黄柏碱
CAS: 6873-13-8
异喹啉，1,2,3,4-四氢-6,7-二甲氧基-1-[（4-甲氧基苯基）甲基]-2-甲基-
CAS: 13425-06-4
R-四氢罂粟碱
CAS: 50896-90-7
1,2,3,4-四氢罂粟碱
CAS: 13074-31-2
劳丹素(半日花素)
CAS: 1699-51-0
1-(2-Fluoro-3-pyridinyl)ethanol
CAS: 79574-61-1
1-(2,6-二氯吡啶-4-基)哌嗪
CAS: 796856-41-2

问答

实验需要(1R,2R)-1-[(3,4-二甲氧基苯基)甲基]-2-[3-(叔丁氧基)-3-氧代丙基]-1,2,3,4-四氢-6,7-二甲氧基-2-甲基异喹啉苯磺酸盐 1075727-00-2

960化工网为您提供（1R）-1-（4-羟基苯基）甲基-1,2,3,4-四氢异喹啉-6,7-二醇专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.106032-53-5,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:106032-53-5 国际站:106032-53-5