简介名称和标识符别名信息物化性质相关文献专业数据库参考相关产品

1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮 | 11023-94-2

1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮结构式图片|11023-94-2结构式图片

中文名称： 1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮

英文名称： Nothofagin

CAS No.： 11023-94-2

分子式： C₂₁H₂₄O₁₀

分子量： 436.40926

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮结构式

PubChem CID： 21722188

价格行情： 1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮价格

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1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮的其他展现形式

相关化合物

鸢尾酚酮-3-C-BETA-D-吡喃葡萄糖苷

Methanone, (3-b-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)-

CAS No.：104669-02-5
阿司巴汀

Aspalathin

CAS No.：6027-43-6
Carbamothioic acid,methyl(3-phenylbutyl)-, S-butyl ester (9CI)

CAS No.：114417-09-3
1-(4-beta-D-Glucopyranosyl-2,6-dihydroxy-phenyl)-3-phenyl-propan-1,3-dion

CAS No.：17334-48-4
coatline A

CAS No.：1313184-58-5

简介

Nothofagin 是一种二氢查尔酮，是从如意宝 (Aspalathus linearis) 中分离得到的。Nothofagin 通过阻断钙 (calcium) 内流来下调 NF-κB 的转运。Nothofagin 具有抗氧化活性，可改善各种炎症反应，例如脓毒症反应和血管炎症。

名称和标识符

InChIKey	VZBPTZZTCBNBOZ-VJXVFPJBSA-N
Inchi	InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1
SMILES	C1=C(C=CC(=C1)O)CCC(=O)C2=C(C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)O

别名信息

- 中文别名 -

1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮
1-(3-beta-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮

- 英文别名 -

1-Propanone, 1-(3-b-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-
Nothofagin(8CI)
Nothofagin
1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
(1S)-1,5-Anhydro-1-{2,4,6-trihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl}-D-glucitol

DTXSID401027257
NSC-791582
3'-C-glucosylphloretin
HY-113919
NSC791582
FS-8058
E7F
11023-94-2
BDBM50235138
CS-0064186
1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
AT36573
AKOS027446309
CHEMBL4082869

物化性质

实验特性

PSA	188.14
熔点	92-110 ºC (分解)
溶解度	Very 微溶 (0.92 g/L) (25 ºC),
颜色与性状	Powder
密度	1.594±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量	436.13692
氢键供体数量	8
氢键受体数量	10
可旋转化学键数量	6
同位素质量	436.137
重原子数量	31
复杂度	595
同位素原子数量	0
确定原子立构中心数量	5
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）	0.2
拓扑分子极性表面积	188A^2

相关文献

1. A two-step O- to C-glycosidic bond rearrangement using complementary glycosyltransferase activities
Alexander Gutmann,Corinna Krump,Linda Bungaruang,Bernd Nidetzky Chem. Commun. 2014 50 5465
2. Natural product C-glycosyltransferases – a scarcely characterised enzymatic activity with biotechnological potential
Natalia Putkaradze,David Teze,Folmer Fredslund,Ditte Hededam Welner Nat. Prod. Rep. 2021 38 432
3. Aspalathus linearis (Rooibos) – a functional food targeting cardiovascular disease
Carine Smith,Amanda Swart Food Funct. 2018 9 5041
4. Model development for predicting in vitro bio-capacity of green rooibos extract based on composition for application as screening tool in quality control
Amsha Viraragavan,Nokulunga Hlengwa,Dalene de Beer,Sylvia Riedel,Neil Miller,Sandra Bowles,Beata Walczak,Christo Muller,Elizabeth Joubert Food Funct. 2020 11 3084
5. Comprehensive in vitro antidiabetic screening of Aspalathus linearis using a target-directed screening platform and cellomics
Nadine A. Pringle,Maryna van de Venter,Trevor C. Koekemoer Food Funct. 2021 12 1020
6. A highly selective 2′′-O-glycosyltransferase from Ziziphus jujuba and De novo biosynthesis of isovitexin 2′′-O-glucoside
Ya-Qun Zhang,Zi-Long Wang,Zhuo Chen,Zheng-Tong Jin,Aobulikasimu Hasan,Hai-Dong Wang,Yu-Wei Sun,Xue Qiao,Yong Wang,Min Ye Chem. Commun. 2022 58 2472
7. Towards the synthesis of glycosylated dihydrochalcone natural products using glycosyltransferase-catalysed cascade reactions
Alexander Gutmann,Linda Bungaruang,Hansjoerg Weber,Mario Leypold,Rolf Breinbauer,Bernd Nidetzky Green Chem. 2014 16 4417
8. Biotransformation of 4-methylcoumarins by cambial meristematic cells of Camptotheca acuminata
Yuhua Zhang,Jiayi Jiang,Ningbo Qin,Qian Zhang,Chunyan Yan RSC Adv. 2019 9 9449
9. Rooibos tea extracts inhibit osteoclast formation and activity through the attenuation of NF-κB activity in RAW264.7 murine macrophages
Shaakirah Moosa,Abe E. Kasonga,Vishwa Deepak,Sumari Marais,Innocentia B. Magoshi,Megan J. Bester,Marlena C. Kruger,Magdalena Coetzee Food Funct. 2018 9 3301
10. Plant glycosyltransferases for expanding bioactive glycoside diversity
Sasilada Sirirungruang,Collin R. Barnum,Sophia N. Tang,Patrick M. Shih Nat. Prod. Rep. 2023 40 1170

专业数据库参考

PubChemId	21722188

1-(3-BETA-D-吡喃葡萄糖基-2,4,6-三羟基苯基)-3-(4-羟基苯基)-1-丙酮 | 11023-94-2

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