Cyclobrassinin (BioDeep_00000020756)

human metabolite

Metabolite Card

4,9-dihydro-2-(methylthio)-1,3-thiazino[6,5-b]Indole, 9ci

Formula: C11H10N2S2 (234.0285)
Chinese Names:
Spectrum Hits: Top Source Homo sapiens(endogenous) 2.66%

Molecular Structure

SMILES: c12c(c3c([nH]1)SC(=NC3)SC)cccc2
InChI: InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3

Description

Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii. Cyclobrassinin is found in many foods, some of which are chinese cabbage, brassicas, chinese mustard, and swede.
Cyclobrassinin is found in brassicas. Cyclobrassinin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii.

Synonyms

5 synonym names

4,9-dihydro-2-(methylthio)-1,3-thiazino[6,5-b]Indole, 9ci; 2-(Methylsulphanyl)-4H,9H-[1,3]thiazino[6,5-b]indole; 4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indole; 2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole; CYCLOBRASSININ

Cross Reference

11 cross reference id

ChEBI: CHEBI:174193
PubChem: 184579
HMDB: HMDB0033352
ChEMBL: CHEMBL2442561
KNApSAcK: C00033745
foodb: FDB011380
chemspider: 160492
CAS: 105748-58-1
PMhub: MS000049633
LOTUS: LTS0248230
wikidata: Q82879375

Classification Terms

3-alkylindoles

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)

11 organism taxonomy source information

52824 - Brassica carinata:
3707 - Brassica juncea:
3708 - Brassica napus:
3710 - Brassica nigra: 10.1039/C39860001077
3712 - Brassica oleracea:
3711 - Brassica rapa:
9606 - Homo sapiens: -
5022 - Leptosphaeria maculans: 10.1016/0031-9422(88)80009-8
2075271 - Phaeosphaeria sowerbyi: 10.1016/0031-9422(88)80009-8
36746 - Pseudomonas cichorii: 10.1016/S0031-9422(00)81417-X
3726 - Raphanus sativus: 10.1016/0031-9422(95)00096-P

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

Literature Reference

Andrew P Klein, Elizabeth S Sattely. Two cytochromes P450 catalyze S-heterocyclizations in cabbage phytoalexin biosynthesis. Nature chemical biology. 2015 Nov; 11(11):837-9. doi: 10.1038/nchembio.1914. [PMID: 26389737]
M Soledade C Pedras, Abbas Abdoli, Paulos B Chumala, Pijus Saha, Gabriele Schatte. Unprecedented spirocyclization of 3-methyleneindoline-2-thiones during hydrolysis of the phytoalexin cyclobrassinin. Bioorganic & medicinal chemistry letters. 2013 Jan; 23(2):484-7. doi: 10.1016/j.bmcl.2012.11.042. [PMID: 23232058]