95N0GBB2SX (BioDeep_00000230120)

Main id: BioDeep_00000024230

 

PANOMIX_OTCML-2023


代谢物信息卡片


2-PENTENOIC ACID, 3-METHYL-, 1-(1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (1S-(1.ALPHA.(S*),3A.BETA.,5.BETA.(E),7.ALPHA.,7A.ALPHA.))-

化学式: C23H34O5 (390.24061140000003)
中文名称: 款冬酮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC/C(C)=C/C(O[C@H]1C([C@]2([H])CC([C@H]([C@H](OC(C)=O)C)[C@@]2([H])[C@H](C(C)C)C1)=O)=C)=O
InChI: InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15-,17+,18+,20-,22+,23+/m1/s1

描述信息

Unii-95N0gbb2SX is a natural product found in Tussilago farfara and Parasenecio petasitoides with data available.
See also: Tussilago farfara flower (part of); Tussilago farfara leaf (part of).
Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2].
Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2].

同义名列表

11 个代谢物同义名

2-PENTENOIC ACID, 3-METHYL-, 1-(1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (1S-(1.ALPHA.(S*),3A.BETA.,5.BETA.(E),7.ALPHA.,7A.ALPHA.))-; 2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1-alpha(S*),3a-beta,5-beta(E),7-alpha,7a-alpha))-; 2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1alpha(S*),3abeta,5beta(E),7alpha,7aalpha))-; 2-PENTENOIC ACID, 3-METHYL-, (1S,3AR,5R,7S,7AS)-1-((1R)-1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (2E)-; oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3-methylpent-2-enoyloxy)-; (7R,14R)-14-acetoxy-7-((2E)-3-methylpent-2-enoyloxy)-oplopanone; 14-acetoxy-7B-(3-ethylcrotonoyloxy)-notonipetranone; 14-acetoxy-7-(3-ethylcrotonoyloxy)-notonipetranone; UNII-95N0GBB2SX; Tussilagone; 95N0GBB2SX



数据库引用编号

5 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

  • Chaoying Jin, Kang Ye, Huiling Luan, Liying Liu, Rusong Zhang, Subei Yang, Yiqi Wang. Tussilagone inhibits allergic responses in OVA-induced allergic rhinitis guinea pigs and IgE-stimulated RBL-2H3 cells. Fitoterapia. 2020 Jul; 144(?):104496. doi: 10.1016/j.fitote.2020.104496. [PMID: 32058052]
  • Yun Kyu Kim, Myeong Gu Yeo, Bo Kang Oh, Ha Yeong Kim, Hun Ji Yang, Seung-Sik Cho, Minchan Gil, Kyung Jin Lee. Tussilagone Inhibits the Inflammatory Response and Improves Survival in CLP-Induced Septic Mice. International journal of molecular sciences. 2017 Dec; 18(12):. doi: 10.3390/ijms18122744. [PMID: 29258263]
  • Kwangho Song, Kyoung Jin Lee, Yeong Shik Kim. Development of an efficient fractionation method for the preparative separation of sesquiterpenoids from Tussilago farfara by counter-current chromatography. Journal of chromatography. A. 2017 Mar; 1489(?):107-114. doi: 10.1016/j.chroma.2017.02.005. [PMID: 28215402]
  • Xin-Shi Zhang, Wei Ren, Bao-Lin Bian, Hai-Yu Zhao, Shu Wang. Comparative metabolism of tussilagone in rat and human liver microsomes using ultra-high-performance liquid chromatography coupled with high-resolution LTQ-Orbitrap mass spectrometry. Rapid communications in mass spectrometry : RCM. 2015 Sep; 29(18):1641-50. doi: 10.1002/rcm.7262. [PMID: 26467116]
  • Zhi-Bin Qin, Jing Zhang, Xing-De Wu, Juan He, Lin-Fen Ding, Li-Yan Peng, Xing-Yao Li, Yan Li, Liang Deng, Ya-Dong Guo, Qin-Shi Zhao. Sesquiterpenoids from Tussilago farfara and their inhibitory effects on nitric oxide production. Planta medica. 2014 Jun; 80(8-9):703-9. doi: 10.1055/s-0034-1368567. [PMID: 24963619]
  • Xi Mi, Zhen-yu Li, Xue-mei Qin, Li-zeng Zhang. [Monitoring of chemical components with different color traits of Tussilago farfara using NMR-based metabolomics]. Yao xue xue bao = Acta pharmaceutica Sinica. 2013 Nov; 48(11):1692-7. doi: ". [PMID: 24475707]
  • Hai-Juan Zhi, Xue-Mei Qin, Hai-Feng Sun, Li-Zeng Zhang, Xiao-Qing Guo, Zhen-Yu Li. Metabolic fingerprinting of Tussilago farfara L. using ¹H-NMR spectroscopy and multivariate data analysis. Phytochemical analysis : PCA. 2012 Sep; 23(5):492-501. doi: 10.1002/pca.2346. [PMID: 22371211]
  • Yu-Feng Liu, Xiu-Wei Yang, Wei Lu, Xiu-Lan Xin. Determination and pharmacokinetic study of tussilagone in rat plasma by RP-HPLC method. Biomedical chromatography : BMC. 2008 Nov; 22(11):1194-200. doi: 10.1002/bmc.1042. [PMID: 18651585]
  • Hyo Jin Lim, Hyun-Sun Lee, Jae-Ha Ryu. Suppression of inducible nitric oxide synthase and cyclooxygenase-2 expression by tussilagone from Farfarae flos in BV-2 microglial cells. Archives of pharmacal research. 2008 May; 31(5):645-52. doi: 10.1007/s12272-001-1207-4. [PMID: 18481023]
  • Y P Li, Y M Wang. Evaluation of tussilagone: a cardiovascular-respiratory stimulant isolated from Chinese herbal medicine. General pharmacology. 1988; 19(2):261-3. doi: 10.1016/0306-3623(88)90072-9. [PMID: 3350333]