Pedunculoside (BioDeep_00000230533)

   

PANOMIX_OTCML-2023


代谢物信息卡片


(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate

化学式: C36H58O10 (650.4029768)
中文名称: 具栖冬青苷, 长梗冬青苷
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 27.69%

分子结构信息

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
InChI: InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1

描述信息

Pedunculoside is a natural product found in Ilex chinensis, Ilex excelsa, and other organisms with data available.
Pedunculoside exerts lipid-lowering effects partly through the regulation of?lipogenesis?and?fatty acid β-oxidation[1].
Pedunculoside exerts lipid-lowering effects partly through the regulation of?lipogenesis?and?fatty acid β-oxidation[1].
Pedunculoside exerts lipid-lowering effects partly through the regulation of?lipogenesis?and?fatty acid β-oxidation[1].

同义名列表

7 个代谢物同义名

(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; Urs-12-en-28-oic acid, 3,19,23-trihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha)-; (3beta,4alpha)-3,19,23-trihydroxy-Urs-12-en-28-oic acid beta-D-glucopyranosyl ester; 1-O-(3,19,23-Trihydroxy-28-oxours-12-en-28-yl)hexopyranose; pedunculosyl-3,23-O-acetalcyclohexanone; Pedunculoside



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)

3 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。



文献列表

  • Qiumei Fan, Xiaowei Liang, Zhipeng Xu, Siyuan Li, Shan Han, Yuntian Xiao, Qiongming Xu, Renyikun Yuan, Shilin Yang, Hongwei Gao. Pedunculoside inhibits epithelial-mesenchymal transition and overcomes Gefitinib-resistant non-small cell lung cancer through regulating MAPK and Nrf2 pathways. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2023 May; 116(?):154884. doi: 10.1016/j.phymed.2023.154884. [PMID: 37209605]
  • Kunjian Liu, Guofeng Li, Wenjin Guo, Jiao Zhang. The protective effect and mechanism of pedunculoside on DSS (dextran sulfate sodium) induced ulcerative colitis in mice. International immunopharmacology. 2020 Nov; 88(?):107017. doi: 10.1016/j.intimp.2020.107017. [PMID: 33182072]
  • Liang Wu, An Kang, Chenxiao Shan, Chuan Chai, Zhu Zhou, Yujie Lin, Yaoyao Bian. LC-Q-TOF/MS-oriented systemic metabolism study of pedunculoside with in vitro and in vivo biotransformation. Journal of pharmaceutical and biomedical analysis. 2019 Oct; 175(?):112762. doi: 10.1016/j.jpba.2019.07.010. [PMID: 31336286]
  • Bao Yang, Hui Li, Qingfeng Ruan, Shenxin Xuan, Xiaojing Chen, Hui Cui, Zhongqiu Liu, Jing Jin, Zhongxiang Zhao. Effects of Gut Microbiota and Ingredient-Ingredient Interaction on the Pharmacokinetic Properties of Rotundic Acid and Pedunculoside. Planta medica. 2019 Jul; 85(9-10):729-737. doi: 10.1055/a-0902-5300. [PMID: 31167298]
  • Bao Yang, Hui Li, Qingfeng Ruan, Yi Tong, Zhongqiu Liu, Shenxin Xuan, Jing Jin, Zhongxiang Zhao. Rapid profiling and pharmacokinetic studies of multiple potential bioactive triterpenoids in rat plasma using UPLC/Q-TOF-MS/MS after oral administration of Ilicis Rotundae Cortex extract. Fitoterapia. 2018 Sep; 129(?):210-219. doi: 10.1016/j.fitote.2018.07.005. [PMID: 29981874]
  • Chang Liu, Yan-Jun Shen, Qing-Bo Tu, Yan-Ran Zhao, Hao Guo, Juan Wang, Li Zhang, Hua-Wei Shi, Yun Sun. Pedunculoside, a novel triterpene saponin extracted from Ilex rotunda, ameliorates high-fat diet induced hyperlipidemia in rats. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2018 May; 101(?):608-616. doi: 10.1016/j.biopha.2018.02.131. [PMID: 29518607]
  • Waiou Zhao, Li Pang, Dahai Xu, Nan Zhang. LC-MS/MS Determination and Pharmacokinetic Study of Pedunculoside in Rat Plasma after Oral Administration of Pedunculoside and Ilex rotunda Extract. Molecules (Basel, Switzerland). 2015 May; 20(5):9084-98. doi: 10.3390/molecules20059084. [PMID: 25996213]
  • Thi Van Anh Tran, Clemens Malainer, Stefan Schwaiger, Atanas G Atanasov, Elke H Heiss, Verena M Dirsch, Hermann Stuppner. NF-κB inhibitors from Eurycoma longifolia. Journal of natural products. 2014 Mar; 77(3):483-8. doi: 10.1021/np400701k. [PMID: 24467387]
  • Zu-Jian Wu, Ming-An Ouyang, Cong-Zhou Wang, Zheng-Kun Zhang, Jian-Guo Shen. Anti-tobacco mosaic virus (TMV) triterpenoid saponins from the leaves of Ilex oblonga. Journal of agricultural and food chemistry. 2007 Mar; 55(5):1712-7. doi: 10.1021/jf062421r. [PMID: 17274628]
  • Alexandre T C Taketa, Simone C B Gnoatto, Grace Gosmann, Viviane S Pires, Eloir P Schenkel, Dominique Guillaume. Triterpenoids from Brazilian Ilex species and their in vitro antitrypanosomal activity. Journal of natural products. 2004 Oct; 67(10):1697-700. doi: 10.1021/np040059+. [PMID: 15497942]
  • Jun-bo Xie, Zhi-ming Bi, Ping Li. HPLC-ELSD determination of triterpenoids and triterpenoid saponins in Ilex pupurea leaves. Yao xue xue bao = Acta pharmaceutica Sinica. 2003 Jul; 38(7):534-6. doi: ". [PMID: 14515801]