7-DIETHYLAMINO-4-METHYLCOUMARIN (BioDeep_00000275506)

   


代谢物信息卡片


7-(Diethylamino)-4-methyl-2H-chromen-2-one

化学式: C14H17NO2 (231.12592220000002)
中文名称: 7-二乙氨基-4-甲基香豆素
谱图信息: 最多检出来源 Viridiplantae(plant) 98.72%

分子结构信息

SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9213; ORIGINAL_PRECURSOR_SCAN_NO 9212
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9232
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9257; ORIGINAL_PRECURSOR_SCAN_NO 9255
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9269; ORIGINAL_PRECURSOR_SCAN_NO 9268
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9251; ORIGINAL_PRECURSOR_SCAN_NO 9250
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9278; ORIGINAL_PRECURSOR_SCAN_NO 9276
CONFIDENCE standard compound; INTERNAL_ID 2483
CONFIDENCE standard compound; INTERNAL_ID 64
CONFIDENCE standard compound; INTERNAL_ID 8843

同义名列表

3 个代谢物同义名

7-(Diethylamino)-4-methyl-2H-chromen-2-one; 7-DIETHYLAMINO-4-METHYLCOUMARIN; 4-methyl-7-diethylaminocoumarin



数据库引用编号

22 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)

0 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

  • Matthias Muschket, Werner Brack, Pedro A Inostroza, Liza-Marie Beckers, Tobias Schulze, Martin Krauss. Sources and Fate of the Antiandrogenic Fluorescent Dye 4-Methyl-7-Diethylaminocoumarin in Small River Systems. Environmental toxicology and chemistry. 2021 11; 40(11):3078-3091. doi: 10.1002/etc.5181. [PMID: 34324726]
  • Juan Carlos Romero-Benavides, Ana Lucía Ruano, Ronal Silva-Rivas, Paola Castillo-Veintimilla, Sara Vivanco-Jaramillo, Natalia Bailon-Moscoso. Medicinal plants used as anthelmintics: Ethnomedical, pharmacological, and phytochemical studies. European journal of medicinal chemistry. 2017 Mar; 129(?):209-217. doi: 10.1016/j.ejmech.2017.02.005. [PMID: 28231520]
  • Cristina Martin, Boiko Cohen, Issam Gaamoussi, Mustapha Ijjaali, Abderrazzak Douhal. Ultrafast dynamics of C30 in solution and within CDs and HSA protein. The journal of physical chemistry. B. 2014 May; 118(21):5760-71. doi: 10.1021/jp5026575. [PMID: 24773055]
  • Rajeev Sindhu, Anjani K Tiwari, Lokesh C Mishra, M M Husain. Spectroscopic interaction of a coumarin derivative with bovine serum albumin. Cancer biotherapy & radiopharmaceuticals. 2012 Sep; 27(7):452-6. doi: 10.1089/cbr.2012.1180. [PMID: 22947088]
  • Shyam Sundar Krishnakumar, Dulal Panda. Spatial relationship between the prodan site, Trp-214, and Cys-34 residues in human serum albumin and loss of structure through incremental unfolding. Biochemistry. 2002 Jun; 41(23):7443-52. doi: 10.1021/bi025699v. [PMID: 12044178]