sulforaphane

Ligand id: 6569

Name: sulforaphane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 80.73
Molecular weight 177.03
XLogP 1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
1-isothiocyanato-4-methylsulfinylbutane
Database Links
CAS Registry No. 4478-93-7 (source: Scifinder)
ChEBI CHEBI:47807
GtoPdb PubChem SID 178103183
PubChem CID 5350
Search Google for chemical match using the InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SUVMJBTUFCVSAD
Search UniChem for chemical match using the InChIKey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SUVMJBTUFCVSAD
Wikipedia Sulforaphane
Comments
Found in cruciferous vegetables such as brocolli. It has potential chemopreventive [1], anti-cancer [4] and neuroprotective actions [3]. It may act as a quinone reductase inducer [2].