UXN2KXV8BB (BioDeep_00000229906)

 

Secondary id: BioDeep_00000025284, BioDeep_00000267820

PANOMIX_OTCML-2023


代谢物信息卡片


6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,3,8,9-tetrahydroxy-

化学式: C15H8O7 (300.0270018)
中文名称: 去甲蟛蜞菊内酯, 去甲基蟛蜞内酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.04%

分子结构信息

SMILES: C1(O)C=C(O)C2C3OC4=CC(O)=C(O)C=C4C=3C(=O)OC=2C=1
InChI: InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H

描述信息

Demethylwedelolactone is a member of coumestans.
Demethylwedelolactone is a natural product found in Sphagneticola calendulacea, Eclipta alba, and other organisms with data available.
Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2].
Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2].

同义名列表

13 个代谢物同义名

6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,3,8,9-tetrahydroxy-; 1,3,8,9-TETRAHYDROXY-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE; 1,3,8,9-Tetrahydroxy-6H-benzofuro-[3,2-c]chromen-6-one; 1,3,8,9-TETRAHYDROXY-6H-BENZOFURO(3,2-C)CHROMEN-6-ONE; 1,3,8,9-Tetrahydroxy-6H-benzofuro[3,2-c]chromen-6-one; 1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one; 1,3,8,9-tetrahydroxy-[1]benzouro[3,2-c]chromen-6-one; 1,3,8,9-Tetrahydroxycoumestan; desmethylwedelolactone; Demethylwedelolactone; Norwedelolactone; UNII-UXN2KXV8BB; UXN2KXV8BB



数据库引用编号

9 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

  • Bao-E Wang, Lin-Tao Zhang, Sheng-Bao Yang, Zeng-Liang Xu. UPLC-MS/MS Assay for Quantification of Wedelolactone and Demethylwedelolactone in Rat Plasma and the Application to a Preclinical Pharmacokinetic Study. Combinatorial chemistry & high throughput screening. 2022 06; 25(8):1271-1277. doi: 10.2174/1386207324666210520093517. [PMID: 35708104]
  • Hongwei Zhao, Supan Cheng, Longfei Zhang, Hongjing Dong, Yongqing Zhang, Xiao Wang. Ultra-high-pressure-assisted extraction of wedelolactone and isodemethylwedelolactone from Ecliptae Herba and purification by high-speed counter-current chromatography. Biomedical chromatography : BMC. 2019 Jun; 33(6):e4497. doi: 10.1002/bmc.4497. [PMID: 30666687]
  • Luciana C Diogo, Renata S Fernandes, Silvana Marcussi, Danilo L Menaldo, Patrícia G Roberto, Paula V F Matrangulo, Paulo S Pereira, Suzelei C França, Silvana Giuliatti, Andreimar M Soares, Miriam V Lourenço. Inhibition of snake venoms and phospholipases A(2) by extracts from native and genetically modified Eclipta alba: isolation of active coumestans. Basic & clinical pharmacology & toxicology. 2009 Apr; 104(4):293-9. doi: 10.1111/j.1742-7843.2008.00350.x. [PMID: 19320636]
  • Pimolpan Pithayanukul, Sasitorn Laovachirasuwan, Rapepol Bavovada, Narumol Pakmanee, Rutt Suttisri. Anti-venom potential of butanolic extract of Eclipta prostrata against Malayan pit viper venom. Journal of ethnopharmacology. 2004 Feb; 90(2-3):347-52. doi: 10.1016/j.jep.2003.10.014. [PMID: 15013200]
  • Samiulla D Syed, Mundkinajeddu Deepak, Shivanna Yogisha, Arun P Chandrashekar, Keerthi A Muddarachappa, Prashanth D'Souza, Amit Agarwal, B V Venkataraman. Trypsin inhibitory effect of wedelolactone and demethylwedelolactone. Phytotherapy research : PTR. 2003 Apr; 17(4):420-1. doi: 10.1002/ptr.1153. [PMID: 12722155]