Compound	Methyl gallate
NPACT-Id	NPACT00772
IUPAC	methyl 3,4,5-trihydroxybenzoate
Synonyms	METHYL GALLATE;Methylgallate;Gallic acid methyl ester;Methyl 3,4,5-trihydroxybenzoate;Benzoic acid,3,4,5-trihydroxy-,methyl ester
PubChem Id	7428
Class	Organic chemical
In-vitro anticancer activity	8 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	FBSFWRHWHYMIOG-UHFFFAOYSA-N
InChi	1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
SMILES	Oc1cc(cc(O)c1O)C(=O)OC
SMART	[H]OC1=C([H])C(=C([H])C(O[H])=C1O[H])C(=O)OC([H])([H])[H]
CAS No.	99-24-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C052082
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, Specs, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase