| Compound | Sulforaphane |
| NPACT-Id | NPACT00963 |
| IUPAC | 1-isothiocyanato-4-methylsulfinylbutane |
| Synonyms | sulforaphane;DL-Sulforaphane;1-Isothiocyanato-4-(methylsulfinyl)butane |
| PubChem Id | 5350 |
| Class | Organic chemical |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | CDKN1A | UGT1A | All | |
| Properties | Physical Elemental Topological |
| InChi Key | SUVMJBTUFCVSAD-UHFFFAOYSA-N |
| InChi | 1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| SMILES | [S@](=O)(CCCCN=C=S)C |
|
SMART | [H]C([H])([H])[S@@](=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N=C=S |
| CAS No. | 4478-93-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 004478937 |
| CTD | C016766 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |