AI3-18220 (BioDeep_00000229791)

 

Secondary id: BioDeep_00000017781, BioDeep_00000410863

PANOMIX_OTCML-2023


代谢物信息卡片


InChI=1/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H

化学式: C10H8O4 (192.0423)
中文名称: 6,7-二羟基-4-甲基香豆素, 4-甲基七叶亭, 4-甲基七叶苷原
谱图信息: 最多检出来源 Viridiplantae(plant) 32.72%

分子结构信息

SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O
InChI: InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3

描述信息

6,7-dihydroxy-4-methylcoumarin is a hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. It has a role as a hyaluronan synthesis inhibitor, an antioxidant and an anti-inflammatory agent.
4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].
4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].

同义名列表

31 个代谢物同义名

InChI=1/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-; 5-18-03-00231 (Beilstein Handbook Reference); 6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; 6,7-Dihydroxy-4-methyl-2H-benzopyran-2-one; 6,7-Dihydroxy-4-methyl-2H-chromen-2-one; 6,7-Dihydroxy-4-methyl-chromen-2-one; 6,7-dihydroxy-4-methylchromen-2-one; Coumarin, 6,7-dihydroxy-4-methyl-; 4-Methyl-6,7-dihydroxycoumarin; 6,7-dihydroxy-4-methylcoumarin; 6.7-Dihydroxy-4-methyl-coumari; 4-methy1-6,7-dihydroxycoumarin; METHYLESCULETIN, 4-; 4-Methylaesculetin; 4-Methylesculetin; 4-Methylesculetol; Spectrum4_001864; Spectrum3_000592; Spectrum2_000617; Spectrum5_000428; Methylesculetin; Oprea1_739367; DivK1c_006591; KBio1_001535; KBio2_004077; KBio2_006645; KBio2_001509; KBio3_001564; AI3-18220; DHMC-6,7



数据库引用编号

8 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)

1 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。

亚细胞结构定位 关联基因列表


文献列表

  • Yang-Liu Xia, Jing-Jing Wang, Shi-Yang Li, Yong Liu, Frank J Gonzalez, Ping Wang, Guang-Bo Ge. Synthesis and structure-activity relationship of coumarins as potent Mcl-1 inhibitors for cancer treatment. Bioorganic & medicinal chemistry. 2021 01; 29(?):115851. doi: 10.1016/j.bmc.2020.115851. [PMID: 33218896]
  • Laura Trapani, Marco Segatto, Veronica Simeoni, Valentina Balducci, Ashish Dhawan, Virinder S Parmar, Ashok K Prasad, Luciano Saso, Sandra Incerpi, Valentina Pallottini. Short- and long-term regulation of 3-hydroxy 3-methylglutaryl coenzyme A reductase by a 4-methylcoumarin. Biochimie. 2011 Jul; 93(7):1165-71. doi: 10.1016/j.biochi.2011.04.009. [PMID: 21530605]
  • Vessela D Kancheva, Luciano Saso, Petya V Boranova, Abdullah Khan, Manju K Saroj, Mukesh K Pandey, Shashwat Malhotra, Jordan Z Nechev, Sunil K Sharma, Ashok K Prasad, Maya B Georgieva, Carleta Joseph, Anthony L DePass, Ramesh C Rastogi, Virinder S Parmar. Structure-activity relationship of dihydroxy-4-methylcoumarins as powerful antioxidants: correlation between experimental & theoretical data and synergistic effect. Biochimie. 2010 Sep; 92(9):1089-100. doi: 10.1016/j.biochi.2010.06.012. [PMID: 20600568]
  • Takao Kaneko, Naomichi Baba, Mitsuyoshi Matsuo. Protection of coumarins against linoleic acid hydroperoxide-induced cytotoxicity. Chemico-biological interactions. 2003 Jan; 142(3):239-54. doi: 10.1016/s0009-2797(02)00077-7. [PMID: 12453663]
  • Y Masamoto. [Sensitization and crossreaction of simple coumarins]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 2001 Jan; 121(1):97-103. doi: 10.1248/yakushi.121.97. [PMID: 11201168]