Coumestrol | MMP-AC0079

	Compound Name :	Coumestrol
	Compound Class :	Flavonoid
	Synonyms :	COUMESTROL; 479-13-0; Cumoestrol; Cumoesterol; Cumostrol;
	Compound Extracted from :	Coumestrol is extracted / reported from 2 Plant(s) of Melghat Flora as below MH067: Vigna radiata (L.) R. Wilczek; MH236: Aerva lanata (L.) Juss. ex Schult.;

	Molecular Formula :	C15H8O5
	Molecular Weight :	268.22
	InChi Key :	ZZIALNLLNHEQPJ-UHFFFAOYSA-N
	IUPAC :	3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
	InChi :	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
	Hydrogen Bond Donor count :	2
	Hydrogen Bond Acceptor count :	5
	Rotational Bond count :	0
	TPSA :	79.9
	LogP Value :	2.8

	Lipinski Rule of Five :	Yes
	Ghose Filter :	Yes
	Veber Filter :	Yes
	Muegge Filter :	Yes

	PubChem CID :	5281707
	Drugbank ID :	-
	Super Natural :	-
	CTD :	D003375
	HIT :	C0358
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/21656645

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0079	Jurkat E6.1	Hematopoietic and Lymphoid tissue	53.3±4.15 µM	-	-	-	15770547
MMP-AC0079	KB	Nasopharyngeal	>75 µM	-	-	-	15770547

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0079	BCL2	B-cell CLL/lymphoma 2	596	Cervix Adenocarcinoma	HeLa	-	-	-	-	In the study, coumestrol was shown to variably but significantly suppress bcl-2 protein expression in HeLa cells.	20623010
MMP-AC0079	CCND1	cyclin D1	595	Cervix Adenocarcinoma	HeLa	-	-	-	-	Coumestrol upregulated cyclin D protein expression in HeLa cells.	20623010
MMP-AC0079	CycA	Cyclin A	39340	Cervix Adenocarcinoma	HeLa	-	-	-	-	Coumestrol upregulated cyclin A protein expression in HeLa cells.	20623010

MMP-AC0079 : Coumestrol