Compound	Allicin
NPACT-Id	NPACT00229
IUPAC	-
Synonyms	Diallyl thiosulfinate ;Diallyldisulfid-S-oxid ;Thio-2-propene-1-sulfinic acid S-allyl ester ;S-Allyl acrylo-1-sulphinothioate ;Allylthiosulphinic acid allyl ester
PubChem Id	65036
Class	Organic chemical
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| CASP8 \| CASP9 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	JDLKFOPOAOFWQN-UHFFFAOYSA-N
InChi	1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
SMILES	[S@@](=O)(SCC=C)CC=C
SMART	[H]C([H])=C(/[H])C([H])([H])S[S@@](=O)C([H])([H])C([H])=C(/[H])[H]
CAS No.	539-86-6
Structure Download
Cross Refrence in other databases
	Super Natural	000539866
	CTD	C006452
	HIT	C0323
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemFrog, Chemical Synthesis Database, ChemMol, FINETECH, IS Chemical Technology,
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