ERUCIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H11NS2
Molecular Weight	161.288
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCCCCN=C=S

InChI

InChIKey=IHQDGXUYTSZGOG-UHFFFAOYSA-N

InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H11NS2
Molecular Weight	161.288
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
The naturally occurring aliphatic isothiocyanates sulforaphane and erucin are weak agonists but potent non-competitive antagonists of the aryl hydrocarbon receptor.	2012-10	22643862
Induction of epoxide hydrolase and glucuronosyl transferase by isothiocyanates and intact glucosinolates in precision-cut rat liver slices: importance of side-chain substituent and chirality.	2011-08	21132492
Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables.	2010-11-09	20833222
Biological profile of erucin: a new promising anticancer agent from cruciferous vegetables.	2010-04	22069601
Mustard oil in "Shibori Daikon" a variety of Japanese radish, selectively inhibits the proliferation of H-ras-transformed 3Y1 cells.	2009-10	19809176
Potency of isothiocyanates to induce luciferase reporter gene expression via the electrophile-responsive element from murine glutathione S-transferase Ya.	2009-06	19232536
Potential skin antiinflammatory effects of 4-methylthiobutylisothiocyanate (MTBI) isolated from rocket (Eruca sativa) seeds.	2009-05-22	19459144
Modulation of rat pulmonary carcinogen-metabolising enzyme systems by the isothiocyanates erucin and sulforaphane.	2009-01-27	18823965
Role of PI3K/Akt and MEK/ERK signaling pathways in sulforaphane- and erucin-induced phase II enzymes and MRP2 transcription, G2/M arrest and cell death in Caco-2 cells.	2005-06-01	15896333
Micronucleus formation and induction of apoptosis by different isothiocyanates and a mixture of isothiocyanates in human lymphocyte cultures.	2005-04-04	15781204
Sulforaphane, erucin, and iberin up-regulate thioredoxin reductase 1 expression in human MCF-7 cells.	2005-03-09	15740016
Isothiocyanates as novel cytotoxic and cytostatic agents: molecular pathway on human transformed and non-transformed cells.	2004-09-15	15313410
The new isothiocyanate 4-(methylthio)butylisothiocyanate selectively affects cell-cycle progression and apoptosis induction of human leukemia cells.	2004-04	14739660
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.	2002-07-31	12137490
Monitoring of isothiocyanates emanating from Arabidopsis thaliana upon paraquat spraying.	2001-03-30	11307975

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:14 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:14 GMT 2025`
Record UNII	CTE370DL3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(METHYLTHIO)BUTYL ISOTHIOCYANATE

Preferred Name

English

ERUCIN

Common Name

English

FEMA NO. 4414

Code

English

4-(METHYLTHIO)BUTYL ISOTHIOCYANATE [FHFI]

Common Name

English

BUTANE, 1-ISOTHIOCYANATO-4-(METHYLTHIO)-

Systematic Name

English

ISOTHIOCYANIC ACID, 4-(METHYLTHIO)BUTYL ESTER

Common Name

English

Code System Code Type Description

MESH

C073539