NCI60_001790 (BioDeep_00000397019)

 

Secondary id: BioDeep_00000021050, BioDeep_00000618829, BioDeep_00000637442, BioDeep_00000637467

PANOMIX_OTCML-2023


代谢物信息卡片


(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

化学式: C28H38O8 (502.2566548)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.86%

分子结构信息

SMILES: C1(=O)C=C[C@H](O)[C@@]23O[C@@H]2C[C@@]2([H])[C@]4(O)CC[C@@](O)([C@](O)(C)[C@]5([H])OC(=O)C(C)=C(C)C5)[C@@]4(C)CC[C@]2([H])[C@@]13C
InChI: InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1

描述信息

4beta-Hydroxywithanolide E is a withanolide.
4beta-Hydroxywithanolide E is a natural product found in Physalis peruviana, Physalis viscosa, and Physalis cinerascens with data available.

同义名列表

17 个代谢物同义名

(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4-beta,5-beta,6-beta,17-alpha,22R)-; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,17.alpha.,22R)-; 5beta,6beta-epoxy-4beta,14,17alpha,20,22R-pentahydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, -lactone; 5,6-Epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone; Withanolide E, 4-beta-hydroxy-; 4.beta.-Hydroxywithanolide E; 4-beta-Hydroxywithanolide E; WITHANOLIDE E, 4-B-HYDROXY-; 4beta-Hydroxywithanolide E; 4beta-hydroxywithanolide; 4β-Hydroxywithanolide E; 4-hydroxywithanolide E; NCI60_001790; ST 28:6;O8



数据库引用编号

9 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)

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。



文献列表

  • Momochika Kumagai, Izumi Yoshida, Takashi Mishima, Masahiro Ide, Kazuhiro Fujita, Matsumi Doe, Keisuke Nishikawa, Yoshiki Morimoto. 4β-Hydroxywithanolide E and withanolide E from Physalis peruviana L. inhibit adipocyte differentiation of 3T3-L1 cells through modulation of mitotic clonal expansion. Journal of natural medicines. 2021 Jan; 75(1):232-239. doi: 10.1007/s11418-020-01458-x. [PMID: 33200287]
  • Ya-Ming Xu, E M Kithsiri Wijeratne, Ashley L Babyak, Hanna R Marks, Alan D Brooks, Poonam Tewary, Li-Jiang Xuan, Wen-Qiong Wang, Thomas J Sayers, A A Leslie Gunatilaka. Withanolides from Aeroponically Grown Physalis peruviana and Their Selective Cytotoxicity to Prostate Cancer and Renal Carcinoma Cells. Journal of natural products. 2017 07; 80(7):1981-1991. doi: 10.1021/acs.jnatprod.6b01129. [PMID: 28617598]
  • Ya-Ming Xu, Alan D Brooks, E M Kithsiri Wijeratne, Curtis J Henrich, Poonam Tewary, Thomas J Sayers, A A Leslie Gunatilaka. 17β-Hydroxywithanolides as Sensitizers of Renal Carcinoma Cells to Tumor Necrosis Factor-α Related Apoptosis Inducing Ligand (TRAIL) Mediated Apoptosis: Structure-Activity Relationships. Journal of medicinal chemistry. 2017 04; 60(7):3039-3051. doi: 10.1021/acs.jmedchem.7b00069. [PMID: 28257574]
  • Mayuramas Sang-Ngern, Ui Joung Youn, Eun-Jung Park, Tamara P Kondratyuk, Charles J Simmons, Marisa M Wall, Michael Ruf, Sam E Lorch, Ethyn Leong, John M Pezzuto, Leng Chee Chang. Withanolides derived from Physalis peruviana (Poha) with potential anti-inflammatory activity. Bioorganic & medicinal chemistry letters. 2016 Jun; 26(12):2755-2759. doi: 10.1016/j.bmcl.2016.04.077. [PMID: 27210437]
  • Eun-Jung Park, Mayuramas Sang-Ngern, Leng Chee Chang, John M Pezzuto. Induction of cell cycle arrest and apoptosis with downregulation of Hsp90 client proteins and histone modification by 4β-hydroxywithanolide E isolated from Physalis peruviana. Molecular nutrition & food research. 2016 06; 60(6):1482-500. doi: 10.1002/mnfr.201500977. [PMID: 27006100]
  • T Takimoto, Y Kanbayashi, T Toyoda, Y Adachi, C Furuta, K Suzuki, T Miwa, M Bannai. 4β-Hydroxywithanolide E isolated from Physalis pruinosa calyx decreases inflammatory responses by inhibiting the NF-κB signaling in diabetic mouse adipose tissue. International journal of obesity (2005). 2014 Nov; 38(11):1432-9. doi: 10.1038/ijo.2014.33. [PMID: 24566854]
  • Ching-Yu Yen, Chien-Chih Chiu, Fang-Rong Chang, Jeff Yi-Fu Chen, Chi-Ching Hwang, You-Cheng Hseu, Hsin-Ling Yang, Alan Yueh-Luen Lee, Ming-Tz Tsai, Zong-Lun Guo, Yu-Shan Cheng, Yin-Chang Liu, Yu-Hsuan Lan, Yu-Ching Chang, Ying-Chin Ko, Hsueh-Wei Chang, Yang-Chang Wu. 4beta-Hydroxywithanolide E from Physalis peruviana (golden berry) inhibits growth of human lung cancer cells through DNA damage, apoptosis and G2/M arrest. BMC cancer. 2010 Feb; 10(?):46. doi: 10.1186/1471-2407-10-46. [PMID: 20167063]
  • G T Tan, J M Pezzuto, A D Kinghorn, S H Hughes. Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. Journal of natural products. 1991 Jan; 54(1):143-54. doi: 10.1021/np50073a012. [PMID: 1710653]