sulforaphane   Click here for help

GtoPdb Ligand ID: 6569

Comment: 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].
2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES S=C=NCCCCS(=O)C
Isomeric SMILES S=C=NCCCCS(=O)C
InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChI Key SUVMJBTUFCVSAD-UHFFFAOYSA-N
Bioactivity Comments
As we have been unable to find classical affinity data for this chemical's interaction with a specific molecular target we have not tagged a primary molecular target in this instance.