GLUCORAPHANIN

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H23NO10S3
Molecular Weight	437.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[S@@+]([O-])CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O

InChI

InChIKey=GMMLNKINDDUDCF-JRWRFYLSSA-N

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H23NO10S3
Molecular Weight	437.507
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
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
Breakdown products of neoglucobrassicin inhibit activation of Nrf2 target genes mediated by myrosinase-derived glucoraphanin hydrolysis products.	2010-11	20868228

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:25 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:25 GMT 2025`
Record UNII	Q86A197713
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-METHYLSULFINYLBUTYL GLUCOSINOLATE

Preferred Name

English

GLUCORAPHANIN

Common Name

English

GLUCOPYRANOSE, 1-THIO-, 1-(5-(METHYLSULFINYL)VALEROHYDROXIMATE) NO-(HYDROGEN SULFATE), .BETA.-D-

Common Name

English

AVMACOL COMPONENT GLUCORAPHANIN

Common Name

English

GLUCORAFANIN

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(5-(METHYLSULFINYL)-N-(SULFOOXY)PENTANIMIDATE)

Systematic Name

English

SULFORAPHANE GLUCOSINOLATE

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-((1Z)-5-((R)-METHYLSULFINYL)-N-(SULFOOXY)PENTANIMIDATE)

Systematic Name

English

Classification Tree Code System Code

DSLD

2609 (Number of products:54)