1-Methoxy-1H-indole-3-carboxaldehyde (BioDeep_00000018608)

human metabolite

代谢物信息卡片

1-Methoxy-1H-indole-3-carboxaldehyde, 9ci

化学式: C10H9NO2 (175.0633)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(not specific) 5.53%

分子结构信息

SMILES: c1ccc2c(c1)c(cn2OC)C=O
InChI: InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3

描述信息

1-methoxy-1h-indole-3-carboxaldehyde is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 1-methoxy-1h-indole-3-carboxaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-methoxy-1h-indole-3-carboxaldehyde can be found in root vegetables, which makes 1-methoxy-1h-indole-3-carboxaldehyde a potential biomarker for the consumption of this food product.
1-Methoxy-1H-indole-3-carboxaldehyde is found in root vegetables. 1-Methoxy-1H-indole-3-carboxaldehyde is a stress metabolite from the Japanese radish Daikon (Raphanus sativus var. hortensis) inoculated with Pseudomonas cichorii.

同义名列表

5 个代谢物同义名

1-Methoxy-1H-indole-3-carboxaldehyde, 9ci; 1-Methoxy-1H-indole-3-carboxaldehyde; 1-methoxy-1H-indole-3-carbaldehyde; 1-methoxyindole-3-carbaldehyde; 1-Methoxy-3-formylindole

数据库引用编号

9 个数据库交叉引用编号

ChEBI: CHEBI:173473
PubChem: 398554
HMDB: HMDB0040972
ChEMBL: CHEMBL1969780
KNApSAcK: C00007577
foodb: FDB004336
chemspider: 353308
CAS: 67282-55-7
PMhub: MS000009493

分类词条

Indoles

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)

7 个相关的物种来源信息

3702 - Arabidopsis thaliana: 10.1016/J.PHYTOCHEM.2009.03.021
3712 - Brassica oleracea:
3716 - Brassica oleracea var. capitata: 10.1016/0031-9422(91)83435-N
9606 - Homo sapiens: -
161756 - Isatis tinctoria:
36746 - Pseudomonas cichorii: 10.1016/S0031-9422(00)81417-X
3726 - Raphanus sativus: 10.1016/0031-9422(95)00011-U

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

Li Zuo, Jian-bei Li, Jing Xu, Jing-zhi Yang, Dong-ming Zhang, Yong-ling Tong. [Studies on chemical constituents in root of Isatis indigotica]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Apr; 32(8):688-91. doi: . [PMID: 17608220]