Mollugin | MMP-AC0201

	Compound Name :	Mollugin
	Compound Class :	Polycyclic aromatic natural product
	Synonyms :	Mollugin 55481-88-4 Rubimaillin Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate M98N6A8Z2F
	Compound Extracted from :	Mollugin is extracted / reported from 1 Plant(s) of Melghat Flora as below MH285: Rubia cordifolia L. ;

	Molecular Formula :	C17H16O4
	Molecular Weight :	284.31
	InChi Key :	VLGATXOTCNBWIT-UHFFFAOYSA-N
	IUPAC :	methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
	InChi :	InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
	Hydrogen Bond Donor count :	1
	Hydrogen Bond Acceptor count :	4
	Rotational Bond count :	2
	TPSA :	55.8
	LogP Value :	4.1

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

	PubChem CID :	124219
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C046245
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/124219#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0201	MCF-7	Breast	>100 然	-	-	-	18239313
MMP-AC0201	HT-29	Colon	>100 然	-	-	-	18239313
MMP-AC0201	Hep G2	Liver	60.2 然	-	-	-	18239313

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References

MMP-AC0201 : Mollugin