Compound	coumestrol
NPACT-Id	NPACT01180
IUPAC	-
Synonyms	Cumoestrol;3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one;6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-;7,12-Dihydroxycoumestan;3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one;3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one;6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-;3,9-Dihydroxycoumestan;
PubChem Id	5281707
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	BCL2 \| CCND1 \| CycA \| All \|
Properties	Physical Elemental Topological
InChi Key	ZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChi	1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
SMILES	o1c2c(c3c1cc(O)cc3)c(=O)oc1c2ccc(O)c1
SMART	[H]OC1=C([H])C2=C(C([H])=C1[H])C1=C(O2)C2=C(OC1=O)C([H])=C(O[H])C([H])=C2[H]
CAS No.	479-13-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	D003375
	HIT	C0358
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, R&D Chemicals, Sigma-Aldrich, 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