3-isothiocyanato-4-methoxy-1H-indole (BioDeep_00000894954)
natural product
Metabolite Card
Formula: C10H8N2OS (204.0357)
Chinese Names:
Spectrum Hits:
Top Source () 0%
Molecular Structure
SMILES: COC1=CC=CC2=C1C(=CN2)N=C=S
InChI: InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3
Cross Reference
Classification Terms
Related Pathways
Reactome(0)
BioCyc(0)
PlantCyc(0)
Biological Process
0 related biological process reactions.
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
18 organism taxonomy source information
- 3701 - Arabidopsis: LTS0151334
- 3702 - Arabidopsis thaliana: 10.1016/J.PHYTOCHEM.2007.10.032
- 3702 - Arabidopsis thaliana: LTS0151334
- 4890 - Ascomycota: LTS0151334
- 3700 - Brassicaceae: LTS0151334
- 147541 - Dothideomycetes: LTS0151334
- 2759 - Eukaryota: LTS0151334
- 98005 - Eutrema: LTS0151334
- 98038 - Eutrema halophilum: 10.1016/J.PHYTOCHEM.2007.10.032
- 98038 - Eutrema halophilum: LTS0151334
- 4751 - Fungi: LTS0151334
- 5021 - Leptosphaeria: LTS0151334
- 5022 - Leptosphaeria maculans: 10.1016/J.BMC.2012.05.020
- 34374 - Leptosphaeriaceae: LTS0151334
- 3398 - Magnoliopsida: LTS0151334
- 35493 - Streptophyta: LTS0151334
- 58023 - Tracheophyta: LTS0151334
- 33090 - Viridiplantae: LTS0151334
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。
| Sub-cellular location | Genes |
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Literature Reference
- M Soledade C Pedras, Estifanos E Yaya. Dissecting metabolic puzzles through isotope feeding: a novel amino acid in the biosynthetic pathway of the cruciferous phytoalexins rapalexin A and isocyalexin A.
Organic & biomolecular chemistry.
2013 Feb; 11(7):1149-66. doi:
10.1039/c2ob27076e. [PMID: 23306875] - M Soledade C Pedras, Vijay K Sarma-Mamillapalle. The cruciferous phytoalexins rapalexin A, brussalexin A and erucalexin: chemistry and metabolism in Leptosphaeria maculans.
Bioorganic & medicinal chemistry.
2012 Jul; 20(13):3991-6. doi:
10.1016/j.bmc.2012.05.020. [PMID: 22672981] - M Soledade C Pedras, Estifanos E Yaya. The first isocyanide of plant origin expands functional group diversity in cruciferous phytoalexins: synthesis, structure and bioactivity of isocyalexin A.
Organic & biomolecular chemistry.
2012 May; 10(18):3613-6. doi:
10.1039/c2ob25492a. [PMID: 22495624] - M Soledade C Pedras, Adewale M Adio. Phytoalexins and phytoanticipins from the wild crucifers Thellungiella halophila and Arabidopsis thaliana: rapalexin A, wasalexins and camalexin.
Phytochemistry.
2008 Feb; 69(4):889-93. doi:
10.1016/j.phytochem.2007.10.032. [PMID: 18078965] - M Soledade C Pedras, Qing-An Zheng, Ravi S Gadagi. The first naturally occurring aromatic isothiocyanates, rapalexins A and B, are cruciferous phytoalexins.
Chemical communications (Cambridge, England).
2007 Jan; ?(4):368-70. doi:
10.1039/b615424g. [PMID: 17220973]
