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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

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 TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
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
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY