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
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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase