Compound	Arctiin
NPACT-Id	NPACT00274
IUPAC	-
Synonyms	Arctigenin-4-glucoside ;arctiin(8ci) ;Arctiin (8CI)
PubChem Id	100528
Class	Lignans
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	CCND1 \| All \|
Properties	Physical Elemental Topological
InChi Key	XOJVHLIYNSOZOO-SWOBOCGESA-N
InChi	1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
SMILES	O1C[C@@H]([C@@H](Cc2cc(OC)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)cc2)C1=O)Cc1cc(OC)c(OC)cc1
SMART	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(OC([H])([H])[H])C([H])=C(C([H])=C2[H])C([H])([H])[C@@]2([H])C(=O)OC([H])([H])[C@]2([H])C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	20362-31-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C077992
	HIT	C0548
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Ambinter,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase