I07-0299 (BioDeep_00000000589)

   

PANOMIX_OTCML-2023


代谢物信息卡片


[(1S,3R,4R,5R,6R,10S,12S,16R,18S,21R)-2-Hydroxy-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]docos-13-ene]-3-yl] acetate

化学式: C37H54O11 (674.3666)
中文名称: 升麻素苷, 分析对照品, 升麻苷, 升麻素苷
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 96.6%

分子结构信息

SMILES: CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41
InChI: InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3

描述信息

Cimicifugoside is a triterpenoid.
CID 441913 is a natural product found in Actaea racemosa with data available.

同义名列表

9 个代谢物同义名

[(1S,3R,4R,5R,6R,10S,12S,16R,18S,21R)-2-Hydroxy-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]docos-13-ene]-3-yl] acetate; 4-Hydroxy-1,1,5,7a,8,12a-hexamethyl-2-(pentopyranosyloxy)-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H,5H-spiro[cyclopropa[1,8a]naphtho[2,1:4,5]indeno[2,1-b]pyran-10,2-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate; 2-AMINO-2-(2-CHLOROPHENYL)CYCLOHEXANONEHYDROCHLORIDE; Cimicifugoside; CID 441913; I07-0299; AC1L9BWW; CID 4483256; Cimicifugoside



数据库引用编号

14 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)

2 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

  • Yinglin Wang, Chunjie Sha, Wanhui Liu, Yunyun Gai, Huayun Zhang, Hualing Qu, Wensheng Wang. Simultaneous determination of cimicifugoside H-2, cimicifugoside H-1, 23-epi-26-deoxyactein, cimigenol xyloside and 25-O-acetylcimigenoside in beagle dog plasma by LC-MS/MS. Journal of pharmaceutical and biomedical analysis. 2012 Mar; 62(?):87-95. doi: 10.1016/j.jpba.2011.11.029. [PMID: 22285707]
  • Ayako Yawata, Yuko Matsuhashi, Hanako Kato, Keiko Uemura, Genjiro Kusano, Junko Ito, Toshiyuki Chikuma, Hiroshi Hojo. Inhibition of nucleoside transport and synergistic potentiation of methotrexate cytotoxicity by cimicifugoside, a triterpenoid from Cimicifuga simplex. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 2009 Nov; 38(4):355-61. doi: 10.1016/j.ejps.2009.08.011. [PMID: 19748575]
  • Kyung-Chul Woo, Yong-Soo Park, Dong-Jae Jun, Jeong-Ok Lim, Woon-Yi Baek, Byung-Sun Suh, Kyong-Tai Kim. Phytoestrogen cimicifugoside-mediated inhibition of catecholamine secretion by blocking nicotinic acetylcholine receptor in bovine adrenal chromaffin cells. The Journal of pharmacology and experimental therapeutics. 2004 May; 309(2):641-9. doi: 10.1124/jpet.103.062331. [PMID: 14757852]
  • Y Q Xiao, B Yang, S T Yao, W Li, L Li, L Q Huang, B Y Xue. [Studies on quality specification standards for Saposhnicovia divaricata (Turcz.) Schischk]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2001 Mar; 26(3):185-7. doi: . [PMID: 12525039]
  • H Hemmi, G Kusano, N Ishida. Selective inhibition of nucleoside transport into mouse lymphoma L-5178Y cells by cimicfugoside. Journal of pharmacobio-dynamics. 1980 Dec; 3(12):636-42. doi: 10.1248/bpb1978.3.636. [PMID: 7277178]