Darutigenol (BioDeep_00000396526)

   

PANOMIX_OTCML-2023


代谢物信息卡片


1,2-Ethanediol, 1-(2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl)-, (2S-(2alpha(S*),4abeta,4balpha,7alpha,8abeta))-

化学式: C20H34O3 (322.2508)
中文名称: 豨莶精醇, 莶精醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1(C(O)CO)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1
InChI: InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1

描述信息

Darutigenol is a natural product found in Sigesbeckia orientalis, Indocypraea montana, and Palafoxia arida with data available.

同义名列表

8 个代谢物同义名

1,2-Ethanediol, 1-(2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl)-, (2S-(2alpha(S*),4abeta,4balpha,7alpha,8abeta))-; 1,2-Ethanediol, 1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-, (1R)-; (1R)-1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-Dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-1,2-ethanediol; (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol; 1-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)ethane-1,2-diol; Darutoside aglycon; Darutigenol; XTZ5NBR55T



数据库引用编号

9 个数据库交叉引用编号

  • PubChem: 3037565
  • MeSH: darutigenol
  • ChemIDplus: 0005940001
  • CAS: 5940-00-1
  • medchemexpress: HY-N3003
  • LOTUS: LTS0098392
  • wikidata: Q72461435
  • LOTUS: LTS0189493
  • wikidata: Q104399336

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)

0 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

  • Yong Wang, Hui Yan, Long Zhao, Xue-Lai He, Te-Ri-Gen Bao, Xian-Duo Sun, Yong-Cheng Yang, Shu-Yi Zhu, Xiao-Xu Gao, An-Hua Wang, Jing-Ming Jia. An integrated network pharmacology approach reveals that Darutigenol reduces inflammation and cartilage degradation in a mouse collagen-induced arthritis model by inhibiting the JAK-STAT3 pathway. Journal of ethnopharmacology. 2023 Oct; 314(?):116574. doi: 10.1016/j.jep.2023.116574. [PMID: 37160212]
  • Jianbin Wang, He Ma, Hongzheng Fu. Semisynthesis of ent-norstrobane diterpenoids as potential inhibitor for factor Xa. Bioorganic & medicinal chemistry letters. 2018 12; 28(23-24):3813-3815. doi: 10.1016/j.bmcl.2018.05.036. [PMID: 30340898]
  • Jianbin Wang, Kehui Xie, Hongquan Duan, Yi Wang, He Ma, Hongzheng Fu. Isolation and characterization of diterpene glycosides from Siegesbeckia pubescens. Bioorganic & medicinal chemistry letters. 2017 04; 27(8):1815-1819. doi: 10.1016/j.bmcl.2017.02.051. [PMID: 28302401]
  • Jianbin Wang, Hongquan Duan, Yi Wang, Bowen Pan, Chun Gao, Chunyan Gai, Qiong Wu, Hongzheng Fu. ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens. Journal of natural products. 2017 01; 80(1):19-29. doi: 10.1021/acs.jnatprod.6b00150. [PMID: 28009521]
  • Fang-Fang Chen, Rui Wang, Yan-Ping Shi. Molecularly imprinted polymer for the specific solid-phase extraction of kirenol from Siegesbeckia pubescens herbal extract. Talanta. 2012 Jan; 89(?):505-12. doi: 10.1016/j.talanta.2011.12.080. [PMID: 22284524]
  • X Y Dong, M Chen, W Jin, D X Huang, S M Shen, H T Li. [Studies on antifertility constituents of Siegesbeckia glabrescens Mak]. Yao xue xue bao = Acta pharmaceutica Sinica. 1989; 24(11):833-6. doi: ". [PMID: 2618680]