Methyl gallate | MMP-AC0200

	Compound Name :	Methyl gallate
	Compound Class :	Organic chemical
	Synonyms :	METHYL GALLATE Methyl 3,4,5-trihydroxybenzoate 99-24-1 Gallic acid methyl ester Methylgallate
	Compound Extracted from :	Methyl gallate is extracted / reported from 1 Plant(s) of Melghat Flora as below MT026: Mangifera indica L.;

	Molecular Formula :	C8H8O5
	Molecular Weight :	184.15
	InChi Key :	FBSFWRHWHYMIOG-UHFFFAOYSA-N
	IUPAC :	methyl 3,4,5-trihydroxybenzoate
	InChi :	InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
	Hydrogen Bond Donor count :	3
	Hydrogen Bond Acceptor count :	5
	Rotational Bond count :	2
	TPSA :	87
	LogP Value :	0.9

	Lipinski Rule of Five :	YES
	Ghose Filter :	YES
	Veber Filter :	YES
	Muegge Filter :	NO

	PubChem CID :	7428
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C052082
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/7428#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0200	MCF-7	Breast	>50 ľg/ml	-	-	-	19731038
MMP-AC0200	Caco-2	Colon	>50 ľg/ml	-	-	-	19731038
MMP-AC0200	ACHN	Kidney	38.6ą2.1 ľg/ml	-	-	-	19731038
MMP-AC0200	A549	Lung	>50 ľg/ml	-	-	-	19731038
MMP-AC0200	COR-L23	Lung	43.9ą2.7 ľg/ml	-	-	-	19731038
MMP-AC0200	LNCaP	Prostate	>50 ľg/ml	-	-	-	19731038
MMP-AC0200	A-375	Skin	>50 ľg/ml	-	-	-	19731038
MMP-AC0200	C32	Skin	>50 ľg/ml	-	-	-	19731038

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

MMP-AC0200 : Methyl gallate