Compound	hinokinin
NPACT-Id	NPACT01226
IUPAC	-
Synonyms	(-)-Hinokinin;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one;(3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one;
PubChem Id	442879
Class	Lignans
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	CASP3 \| All \|
Properties	Physical Elemental Topological
InChi Key	DDWGQGZPYDSYEL-LSDHHAIUSA-N
InChi	1S/C20H18O6/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/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
SMILES	O1C[C@@H]([C@@H](Cc2cc3OCOc3cc2)C1=O)Cc1cc2OCOc2cc1
SMART	[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@@]1([H])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.	26543-89-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C475934
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Therapeutic Targets Database, 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