Roburic acid (BioDeep_00000230238)

Main id: BioDeep_00000230917

 

PANOMIX_OTCML-2023


代谢物信息卡片


3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid

化学式: C30H48O2 (440.36541079999995)
中文名称: 栎樱酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C2C1C)C)C
InChI: InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1

描述信息

Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, an olefinic compound and a monocarboxylic acid.
Roburic acid is a natural product found in Gentiana dahurica and Gentiana macrophylla with data available.
Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].
Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].

同义名列表

5 个代谢物同义名

3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl]propanoic acid; 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid; Roburinsaeure;; Roburic acid; Roburic-acid



数据库引用编号

6 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)

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

  • Zhiyong Zhang, Nan Hao, Long Wang, Shunan Li, Xinhao Yan, Xuting Guo, Yunlan Lian, Wenlong Li. Rapid quality assessment of Gentianae Macrophyllae Radix based on near infrared spectroscopy and capillary electrophoresis. Electrophoresis. 2023 Apr; ?(?):. doi: 10.1002/elps.202300029. [PMID: 37029336]
  • Adrianna Gielecińska, Mateusz Kciuk, Somdutt Mujwar, Ismail Celik, Damian Kołat, Żaneta Kałuzińska-Kołat, Renata Kontek. Substances of Natural Origin in Medicine: Plants vs. Cancer. Cells. 2023 03; 12(7):. doi: 10.3390/cells12070986. [PMID: 37048059]
  • Huiqiang Wei, Jianghong Guo, Xiao Sun, Wenfeng Gou, Hongxin Ning, Haihua Shang, Qiang Liu, Wenbin Hou, Yiliang Li. Discovery of Natural Ursane-type SENP1 Inhibitors and the Platinum Resistance Reversal Activity Against Human Ovarian Cancer Cells: A Structure-Activity Relationship Study. Journal of natural products. 2022 05; 85(5):1248-1255. doi: 10.1021/acs.jnatprod.1c01166. [PMID: 35500202]
  • Moritz Verhoff, Stefanie Seitz, Michael Paul, Stefan M Noha, Johann Jauch, Daniela Schuster, Oliver Werz. Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1. Journal of natural products. 2014 Jun; 77(6):1445-51. doi: 10.1021/np500198g. [PMID: 24844534]