23-epi-26-Deoxyactein (BioDeep_00000395694)

   

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


(1R,2R,2aR,4S,5R,6aR,7aR,9R,9aR,9bR,10R,13aS,14aS,14bS)-3,3,5,9a,10,14a-Hexamethyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)octadecahydro-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,12-cyclopropa[1,8a]naphtho[2,1:4,5]indeno[2,1-b]pyran]-9-yl acetate

化学式: C37H56O10 (660.3873276)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@@]1(C)O[C@H]14
InChI: InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37-/m1/s1

描述信息

23-epi-26-deoxyactein is a triterpenoid. It has a role as a metabolite.
23-EPI-26-Deoxyactein is a natural product found in Actaea racemosa with data available.
See also: Black Cohosh (part of).
A natural product found in Actaea racemosa.
23-epi-26-Deoxyactein is a natural and orally active anti-obesity and anti-cancer compound[1][2][3].

同义名列表

14 个代谢物同义名

(1R,2R,2aR,4S,5R,6aR,7aR,9R,9aR,9bR,10R,13aS,14aS,14bS)-3,3,5,9a,10,14a-Hexamethyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)octadecahydro-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,12-cyclopropa[1,8a]naphtho[2,1:4,5]indeno[2,1-b]pyran]-9-yl acetate; [(1R,1R,3R,4R,4R,5R,5R,6R,10S,12S,13S,16R,18S,21R)-1,4,6,12,17,17-hexamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3-yl] acetate; .BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23S,24R,25R)-12-(ACETYLOXY)-16,23:23,26: 24,25-TRIEPOXY-9,19-CYCLOLANOSTAN-3-YL; beta-D-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26: 24,25-triepoxy-9,19-cyclolanostan-3-yl; 23-epi-26-Deoxyactein (constituent of Black cohosh) [DSC]; 23-epi-26-Deoxyactein (constituent of Black cohosh); 23-EPI-26-DEOXYACTEIN [USP-RS]; 23-EPI-26-DEOXYACTEIN (USP-RS); GCMGJWLOGKSUGX-WUHYQCRDSA-; 23-epi-26-deoxy-actein; 23-epi-26-Deoxyactein; UNII-2A97XP2V7I; 2A97XP2V7I; 27-Deoxyactein



数据库引用编号

8 个数据库交叉引用编号

分类词条

相关代谢途径

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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)

11 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

  • Lucia Disch, Kristina Forsch, Beate Siewert, Jürgen Drewe, Gert Fricker. In Vitro and In Situ Characterization of Triterpene Glycosides From Cimicifuga racemosa Extract. Journal of pharmaceutical sciences. 2017 12; 106(12):3642-3650. doi: 10.1016/j.xphs.2017.07.023. [PMID: 28827038]
  • C Moser, S P Vickers, R Brammer, S C Cheetham, J Drewe. Antidiabetic effects of the Cimicifuga racemosa extract Ze 450 in vitro and in vivo in ob/ob mice. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2014 Sep; 21(11):1382-9. doi: 10.1016/j.phymed.2014.06.002. [PMID: 25022210]
  • Eun Mi Choi. Deoxyactein stimulates osteoblast function and inhibits bone-resorbing mediators in MC3T3-E1 cells. Journal of applied toxicology : JAT. 2013 Mar; 33(3):190-5. doi: 10.1002/jat.1733. [PMID: 21910134]
  • Xiaoyan Pang, Jie Cheng, Kristopher W Krausz, De-an Guo, Frank J Gonzalez. Pregnane X receptor-mediated induction of Cyp3a by black cohosh. Xenobiotica; the fate of foreign compounds in biological systems. 2011 Feb; 41(2):112-23. doi: 10.3109/00498254.2010.527021. [PMID: 20979450]
  • R B van Breemen, W Liang, S Banuvar, L P Shulman, Y Pang, Y Tao, D Nikolic, K M Krock, D S Fabricant, S-N Chen, S Hedayat, J L Bolton, G F Pauli, C E Piersen, E C Krause, S E Geller, N R Farnsworth. Pharmacokinetics of 23-epi-26-deoxyactein in women after oral administration of a standardized extract of black cohosh. Clinical pharmacology and therapeutics. 2010 Feb; 87(2):219-25. doi: 10.1038/clpt.2009.251. [PMID: 20032972]
  • Jing-Chun Gao, Jin-Chao Zhang, Yao Chen, Meng-Su Yang, Pei-Gen Xiao. [Study on chemical constituents from rhizomes of Actaea asiatica]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Nov; 32(21):2256-8. doi: ". [PMID: 18309667]
  • Liang Zhou, Jun-Shan Yang, Guang-Zhong Tu, Jian-Hua Zou. Cyclolanostane triterpene glycosides from Souliea vaginata. Chemical & pharmaceutical bulletin. 2006 Jun; 54(6):823-6. doi: 10.1248/cpb.54.823. [PMID: 16755051]
  • Hui-Kang Wang, Nokuko Sakurai, Charles Y Shih, Kuo-Hsiung Lee. LC/TIS-MS fingerprint profiling of Cimicifuga species and analysis of 23-Epi-26-deoxyactein in Cimicifuga racemosa commercial products. Journal of agricultural and food chemistry. 2005 Mar; 53(5):1379-86. doi: 10.1021/jf048300d. [PMID: 15740010]
  • Shao-Nong Chen, Wenkui Li, Daniel S Fabricant, Bernard D Santarsiero, Andrew Mesecar, John F Fitzloff, Harry H S Fong, Norman R Farnsworth. Isolation, structure elucidation, and absolute configuration of 26-deoxyactein from Cimicifuga racemosa and clarification of nomenclature associated with 27-deoxyactein. Journal of natural products. 2002 Apr; 65(4):601-5. doi: 10.1021/np010494t. [PMID: 11975513]