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
Breakdown products of neoglucobrassicin inhibit activation of Nrf2 target genes mediated by myrosinase-derived glucoraphanin hydrolysis products.	2010 Nov	20868228
Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables.	2010 Nov 9	20833222
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 Aug	21132492

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:03:45 UTC 2023` Edited by `admin` on `Sat Dec 16 08:03:45 UTC 2023`
Record UNII	Q86A197713
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

4-METHYLSULFINYLBUTYL GLUCOSINOLATE

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)