Withanolide (BioDeep_00000637441)

Main id: BioDeep_00000007004

 

PANOMIX_OTCML-2023 Volatile Flavor Compounds


代谢物信息卡片


(3aS,5aR,9bR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one

化学式: C28H38O6 (470.2668248)
中文名称: 醉茄内酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)C
InChI: InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1

描述信息

同义名列表

7 个代谢物同义名

(3aS,5aR,9bR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one; Withanolide D; CHEBI:10041; Withanolide; ST 28:6;O6; AC1L4PUZ; Withanolide D



数据库引用编号

15 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)

7 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

  • Md Abdul Hannan, Raju Dash, Md Nazmul Haque, Sung Min Choi, Il Soo Moon. Integrated System Pharmacology and In Silico Analysis Elucidating Neuropharmacological Actions of Withania somnifera in the Treatment of Alzheimer's Disease. CNS & neurological disorders drug targets. 2020; 19(7):541-556. doi: 10.2174/1871527319999200730214807. [PMID: 32748763]
  • Mahendra Kumar Trivedi, Parthasarathi Panda, Kalyan Kumar Sethi, Snehasis Jana. Metabolite Profiling in Withania somnifera Roots Hydroalcoholic Extract Using LC/MS, GC/MS and NMR Spectroscopy. Chemistry & biodiversity. 2017 Mar; 14(3):. doi: 10.1002/cbdv.201600280. [PMID: 27743505]
  • Sayantani Sarkar, Chandan Mandal, Rajender Sangwan, Chitra Mandal. Coupling G2/M arrest to the Wnt/β-catenin pathway restrains pancreatic adenocarcinoma. Endocrine-related cancer. 2014 Feb; 21(1):113-25. doi: 10.1530/erc-13-0315. [PMID: 24402132]
  • Amreen A Siddique, Pallavi Joshi, Laxminarain Misra, Neelam S Sangwan, Mahendra P Darokar. 5,6-de-epoxy-5-en-7-one-17-hydroxy withaferin A, a new cytotoxic steroid from Withania somnifera L. Dunal leaves. Natural product research. 2014; 28(6):392-8. doi: 10.1080/14786419.2013.871545. [PMID: 24422976]
  • Vincent Roumy, Murielle Biabiany, Thierry Hennebelle, El Moukhtar Aliouat, Muriel Pottier, Henry Joseph, Sami Joha, Bruno Quesnel, Racha Alkhatib, Sevser Sahpaz, François Bailleul. Antifungal and cytotoxic activity of withanolides from Acnistus arborescens. Journal of natural products. 2010 Jul; 73(7):1313-7. doi: 10.1021/np100201p. [PMID: 20590148]
  • Claudia P Cordero, Sandra J Morantes, Alexandra Páez, Javier Rincón, Fabio A Aristizábal. Cytotoxicity of withanolides isolated from Acnistus arborescens. Fitoterapia. 2009 Sep; 80(6):364-8. doi: 10.1016/j.fitote.2009.05.011. [PMID: 19460421]
  • Maumita Bandyopadhyay, Sumita Jha, David Tepfer. Changes in morphological phenotypes and withanolide composition of Ri-transformed roots of Withania somnifera. Plant cell reports. 2007 May; 26(5):599-609. doi: 10.1007/s00299-006-0260-0. [PMID: 17103214]
  • Pei-Wen Hsieh, Zih-You Huang, Jyun-Hong Chen, Fang-Rong Chang, Ching-Chung Wu, Yu-Liang Yang, Michael Y Chiang, Ming-Hon Yen, Shu-Li Chen, Hsin-Fu Yen, Tilo Lübken, Wen-Chun Hung, Yang-Chang Wu. Cytotoxic withanolides from Tubocapsicum anomalum. Journal of natural products. 2007 May; 70(5):747-53. doi: 10.1021/np0605541. [PMID: 17417907]
  • Paola Bargagna-Mohan, Padma Priya Ravindranath, Royce Mohan. Small molecule anti-angiogenic probes of the ubiquitin proteasome pathway: potential application to choroidal neovascularization. Investigative ophthalmology & visual science. 2006 Sep; 47(9):4138-45. doi: 10.1167/iovs.05-1452. [PMID: 16936134]
  • Emma Maldonado, Fernando R Torres, Mahinda Martínez, Ana L Pérez-Castorena. 18-Acetoxywithanolides from Physalis chenopodifolia1. Planta medica. 2004 Jan; 70(1):59-64. doi: 10.1055/s-2004-815457. [PMID: 14765295]
  • M Ganzera, M I Choudhary, I A Khan. Quantitative HPLC analysis of withanolides in Withania somnifera. Fitoterapia. 2003 Feb; 74(1-2):68-76. doi: 10.1016/s0367-326x(02)00325-8. [PMID: 12628397]
  • S Ray, S Jha. Production of withaferin A in shoot cultures of Withania somnifera. Planta medica. 2001 Jul; 67(5):432-6. doi: 10.1055/s-2001-15811. [PMID: 11488457]