Compound	savinin
NPACT-Id	NPACT01316
IUPAC	-
Synonyms	(3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
PubChem Id	5281867
Class	Lignans
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	NOS2 \| All \|
Properties	Physical Elemental Topological
InChi Key	CMJGAYUQSLJSCR-ULIPXBITSA-N
InChi	1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1
SMILES	O1C[C@H](Cc2cc3OCOc3cc2)/C(=Cc2cc3OCOc3cc2)/C1=O
SMART	[H]C(C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])=C1/C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.	493-95-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C425325
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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