Compound	Arctigenin
NPACT-Id	NPACT00273
IUPAC	(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Synonyms	(-)-Arctigenin;Arctigenen
PubChem Id	64981
Class	Lignans
In-vitro anticancer activity	5 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	NQWVSMVXKMHKTF-JKSUJKDBSA-N
InChi	1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
SMILES	O1C[C@@H]([C@@H](Cc2cc(OC)c(O)cc2)C1=O)Cc1cc(OC)c(OC)cc1
SMART	[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.	7770-78-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C071942
	HIT	C0549
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, IS Chemical Technology, MolPort, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase