a a

Compound	Sesamin
NPACT-Id	NPACT00945
IUPAC	5-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Synonyms	2,6-Bis(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo(3.3.0)octane
PubChem Id	5204
Class	Lignans
In-vitro anticancer activtiy	5 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	AKT1 \| CCND1 \| HIF1A \| IL6 \| IL8 \| MAPK1 \| MMP9 \| NFKB1 \| PLCG1 \| RB1 \| TNF \| VEGFA \| All \|
Properties	Physical Elemental Topological
InChi Key	PEYUIKBAABKQKQ-UHFFFAOYSA-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
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	000607807
	CTD	C054125
	HIT	C0579
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, TimTec,
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