U.S. Department of Health & Human Services Divider Arrow 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

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
Molecular Formula C11H12N2S2
Molecular Weight 236.356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Modulator
828
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
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:02:37 GMT 2023
Edited
by admin
on Fri Dec 15 19:02:37 GMT 2023
Record UNII
J2IBO1B8VH
Record Status Validated (UNII)
Record Version
  • Download
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966