Alisol C monoacetate (BioDeep_00000230402)

 

Secondary id: BioDeep_00000230816

PANOMIX_OTCML-2023


代谢物信息卡片


(1S,3R)-1-((R)-3,3-Dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)butyl acetate

化学式: C32H48O6 (528.3451)
中文名称: 泽泻醇C-23-醋酸酯, 23-乙酰泽泻醇 C, 泽泻醇 C-23-醋酸酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 75.61%

分子结构信息

SMILES: CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O
InChI: InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1

描述信息

Alisol C monoacetate is a natural product found in Alisma plantago-aquatica with data available.
See also: Alisma plantago-aquatica subsp. orientale root (part of).
Alisol C 23-acetate, a natural product extracted from Alisma orinentale, can significantly and strongly inhibit DTH response after oral administration.
Alisol C 23-acetate, a natural product extracted from Alisma orinentale, can significantly and strongly inhibit DTH response after oral administration.

同义名列表

18 个代谢物同义名

(1S,3R)-1-((R)-3,3-Dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)butyl acetate; [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate; DAMMAR-13(17)-ENE-3,16-DIONE, 23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXY-, (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-; 8.ALPHA.,9.BETA.,14.BETA.-DAMMAR-13(17)-ENE-3,16-DIONE, 24,25-EPOXY-11.BETA.,23-DIHYDROXY-, 23-ACETATE, (23S,24R)-; (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXYDAMMAR-13(17)-ENE-3,16-DIONE; Dammar-13(17)-ene-3,16-dione, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (8alpha,9beta,11beta,14beta,23S,24R)-; 8alpha,9beta,14beta-Dammar-13(17)-ene-3,16-dione, 24,25-epoxy-11beta,23-dihydroxy-, 23-acetate, (23S,24R)-; (8alpha,9beta,11beta,14beta,23S,24R)-23-(Acetyloxy)-24,25-epoxy-11-hydroxydammar-13(17)-ene-3,16-dione; 11beta-hydroxy-24,25-epoxy-3,16-oxo-protost-13(17)-en-23-yl acetate; 23-O-Acetylalisol C;Alisol C monoacetate; Alisol C 23-monoacetate; Alisol C (23-acetate); Alisol C monoacetate; 23-O-Acetylalisol C; Alisol C-23-acetate; alisol C 23-acetate; UNII-TF3DV2XK24; TF3DV2XK24



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

亚细胞结构定位 关联基因列表


文献列表

  • Xiao-Yan Chang, Jia-Shuo Wu, Fang-Qing Zhang, Zhuang-Zhuang Li, Wei-Yi Jin, Jing-Xun Wang, Wei-Hua Wang, Yue Shi. A Strategy for Screening the Lipid-Lowering Components in Alismatis Rhizoma Decoction Based on Spectrum-Effect Analysis. Journal of analytical methods in chemistry. 2022; 2022(?):2363242. doi: 10.1155/2022/2363242. [PMID: 35028165]
  • Xiaokang Jia, Huaichang Zhu, Gaopan Li, Mengliu Lan, Xiaoyan Li, Mingqing Huang, Wen Xu, Shuisheng Wu. Anti-osteoporotic effects of alisol C 23-acetate via osteoclastogenesis inhibition. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2021 May; 137(?):111321. doi: 10.1016/j.biopha.2021.111321. [PMID: 33524783]
  • Xiaomei Xu, Lisha Li, Yamin Zhang, Xuehua Lu, Wei Lin, Shuangshuang Wu, Xia Qin, Rongqing Xu, Wenjin Lin. Hypolipidemic effect of Alisma orientale (Sam.) Juzep on gut microecology and liver transcriptome in diabetic rats. PloS one. 2020; 15(10):e0240616. doi: 10.1371/journal.pone.0240616. [PMID: 33035272]
  • Wen Xu, Xiaoyan Li, Na Lin, Xue Zhang, Xiaoqiang Huang, Tingting Wu, Yanni Tai, Shuyun Chen, Chieh-Hsi Wu, Mingqing Huang, Shuisheng Wu. Pharmacokinetics and tissue distribution of five major triterpenoids after oral administration of Rhizoma Alismatis extract to rats using ultra high-performance liquid chromatography-tandem mass spectrometry. Journal of pharmaceutical and biomedical analysis. 2017 Nov; 146(?):314-323. doi: 10.1016/j.jpba.2017.09.009. [PMID: 28910706]