Cimigenol (BioDeep_00000011748)

   

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol

化学式: C30H48O5 (488.3501558)
中文名称: 升麻醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 33.33%

分子结构信息

SMILES: C1C[C@]2([H])[C@@]3(C[C@]43CC[C@H](O)C(C)(C)[C@]14[H])CC[C@@]1(C)[C@@]2(C)[C@@H](O)[C@]23O[C@H](C(C)(C)O)[C@]([H])(O2)C[C@@H](C)[C@]13[H]
InChI: InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17+,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1

描述信息

Cimigenol is a triterpenoid. It derives from a hydride of a cycloartane.
Cimigenol is a natural product found in Actaea pachypoda, Actaea dahurica, and other organisms with data available.
See also: Black Cohosh (part of).

同义名列表

13 个代谢物同义名

(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol; 22-(2-Hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol; 9,19-Cyclolanostane-3,15,25-triol, 16,23:16,24-diepoxy-, (3.beta.,15.alpha.,16.alpha.,23R,24S)-; (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-16,23:16,24-DIEPOXY-9,19-CYCLOLANOSTANE-3,15,25-TRIOL; 9,19-Cyclolanostane-3,15,25-triol, 16,23:16,24-diepoxy-, (3beta,15alpha,16alpha,23R,24S)-; (23R,24S)-16beta,23:16alpha,24-diepoxy-9beta,19-cyclolanostane-3beta,15alpha,25-triol; (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-Diepoxy-9,19-cyclolanostane-3,15,25-triol; 16beta,23R:16alpha,24S-diepoxy-9beta,19-cyclolanostane-3beta,15alpha,25-triol; (23R,24S)-16,23-16,24-diepoxy-9,19-cyclolanostan-3beta,15alpha,25-triol; Cimigenol [MI]; ST 30:3;O5; Cimigenol; CID 20054872



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)

18 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

  • Lu Lu, Jian-Chao Chen, Yan Li, Chen Qing, Yuan-Yuan Wang, Yin Nian, Ming-Hua Qiu. Studies on the constituents of Cimicifuga foetida collected in Guizhou Province and their cytotoxic activities. Chemical & pharmaceutical bulletin. 2012; 60(5):571-7. doi: 10.1248/cpb.60.571. [PMID: 22689393]
  • Serhat S Cicek, Sophia Khom, Barbara Taferner, Steffen Hering, Hermann Stuppner. Bioactivity-guided isolation of GABA(A) receptor modulating constituents from the rhizomes of Actaea racemosa. Journal of natural products. 2010 Dec; 73(12):2024-8. doi: 10.1021/np100479w. [PMID: 21082802]
  • Serhat Sezai Cicek, Stefan Schwaiger, Ernst Peter Ellmerer, Hermann Stuppner. Development of a fast and convenient method for the isolation of triterpene saponins from Actaea racemosa by high-speed countercurrent chromatography coupled with evaporative light scattering detection. Planta medica. 2010 Mar; 76(5):467-73. doi: 10.1055/s-0029-1186236. [PMID: 19847744]
  • Chun Dan, Jian Liang, Yan Zhou, Lisheng Ding. [Cycloartane triterpenoid of Cimicifuga foetida]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2009 Aug; 34(15):1930-4. doi: . [PMID: 19894537]
  • Linda Saxe Einbond, Ye Wen-Cai, Kan He, Hsan-au Wu, Erica Cruz, Marc Roller, Fredi Kronenberg. Growth inhibitory activity of extracts and compounds from Cimicifuga species on human breast cancer cells. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2008 Jun; 15(6-7):504-11. doi: 10.1016/j.phymed.2007.09.017. [PMID: 17980565]
  • Zhong-jie Zou, Jun-shan Yang. [Studies on the chemical constituents of the roots of Anemone altaica]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2008 Jan; 31(1):49-51. doi: . [PMID: 18589749]
  • Li-Rong Sun, Chen Qing, Yan-Li Zhang, Shu-Yu Jia, Zhong-Rong Li, Shen-Ji Pei, Ming-Hua Qiu, Michael L Gross, Samuel X Qiu. Cimicifoetisides A and B, two cytotoxic cycloartane triterpenoid glycosides from the rhizomes of Cimicifuga foetida, inhibit proliferation of cancer cells. Beilstein journal of organic chemistry. 2007 Jan; 3(?):3. doi: 10.1186/1860-5397-3-3. [PMID: 17266751]
  • Minghua Qiu, Jung-Hee Kim, Hyeong-Kyu Lee, Byung-Sun Min. Anticomplement activity of cycloartane glycosides from the rhizome of Cimicifuga foetida. Phytotherapy research : PTR. 2006 Nov; 20(11):945-8. doi: 10.1002/ptr.1982. [PMID: 16906637]
  • Kan He, Guido F Pauli, Bolin Zheng, Huikang Wang, Naisheng Bai, Tangsheng Peng, Marc Roller, Qunyi Zheng. Cimicifuga species identification by high performance liquid chromatography-photodiode array/mass spectrometric/evaporative light scattering detection for quality control of black cohosh products. Journal of chromatography. A. 2006 Apr; 1112(1-2):241-54. doi: 10.1016/j.chroma.2006.01.004. [PMID: 16515793]
  • Xiao-hong Zhao, Di-hua Chen, Jian-yong Si, Rui-le Pan, Lian-gang Shen, Duo Chen. [Studies on new trierpenoid constituents from the Rhizoma of Cimicifuga foetida]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2003 Feb; 28(2):135-8. doi: . [PMID: 15015286]
  • Yong Liu, Dihua Chen, Jianyong Si, Guangzhong Tu, Dongge An. Two new cyclolanostanol xylosides from the aerial parts of Cimicifuga dahurica. Journal of natural products. 2002 Oct; 65(10):1486-8. doi: 10.1021/np020130g. [PMID: 12398548]
  • K Wende, C Mügge, K Thurow, T Schöpke, U Lindequist. Actaeaepoxide 3-O-beta-D-xylopyranoside, a new cycloartane glycoside from the rhizomes of Actaea racemosa (Cimicifuga racemosa). Journal of natural products. 2001 Jul; 64(7):986-9. doi: 10.1021/np000619e. [PMID: 11473444]