Compound	Asarinin
NPACT-Id	NPACT00290
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Synonyms	sesamin;Fagarol;Sezamin;(+)-Sesamin;D-(+)-Sesamin;pseudocubebin;Episesamin;d-Sesamin
PubChem Id	72307
Class	Lignans
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	PEYUIKBAABKQKQ-AFHBHXEDSA-N
InChi	1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
SMILES	O1[C@@H]([C@@H]2[C@@H]([C@H](OC2)c2cc3OCOc3cc2)C1)c1cc2OCOc2cc1
SMART	[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)[C@@]1([H])OC([H])([H])[C@]2([H])[C@]([H])(OC([H])([H])[C@]12[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.	607-80-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	C0546
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Ambinter, Selleck Chemicals, 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