BRASSININ

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2S2
Molecular Weight	236.356
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BRASSININ

Structure Search

SMILES

CSC(=S)NCC1=CNC2=CC=CC=C12

InChI

InChIKey=QYKQWFZDEDFELK-UHFFFAOYSA-N

InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Nrf2-HO-1 pathway 1 Target ID: Nrf2-HO-1 pathway Sources: https://www.ncbi.nlm.nih.gov/pubmed/30848529	Modulator 828

PubMed

PubMed

Title	Date	PubMed
Brassinin, a phytoalexin in cruciferous vegetables, suppresses obesity-induced inflammatory responses through the Nrf2-HO-1 signaling pathway in an adipocyte-macrophage co-culture system.	2019 May	30848529

Name

Type

Language

BRASSININ

Common Name

English

CARBAMODITHIOIC ACID, N-(1H-INDOL-3-YLMETHYL)-, METHYL ESTER

Systematic Name

English

BRASSININE

Common Name

English

CARBAMODITHIOIC ACID, (1H-INDOL-3-YLMETHYL)-, METHYL ESTER

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C54677

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

Code System Code Type Description

CAS

105748-59-2

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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NCI_THESAURUS

C63657

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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EPA CompTox

DTXSID30909714

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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CHEBI

38119

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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PUBCHEM

3035211

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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FDA UNII

J2IBO1B8VH

Created by admin on Fri Dec 15 19:02:37 GMT 2023 , Edited by admin on Fri Dec 15 19:02:37 GMT 2023

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SUBSTANCE RECORD


					J2IBO1B8VH

BRASSININ