Phyto4Health

Gallic Acid Methyl Ester

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL65675
PubChem: 7428
IUPAC: methyl 3,4,5-trihydroxybenzoate
Standard InChI: InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
Standard InChI Key: FBSFWRHWHYMIOG-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(O)c(c(c1)O)O

Molecular propeties
AlogP: 0.59
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 3
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 184.04
Topological polar surface area: 87
Number of aromatic rings: 1
Fsp3: 0.125
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
FructusPunica granatum
FructusPunica granatum
PlantVerbascum thapsiforme
PlantTanacetum coccineum
PlantCotinus coggygria
PlantCotinus coggygria
PlantPrunus cerasifera
PlantRibes nigrum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency25118.9 nMPrelamin-A/CP02545
Potency15848.9 nMLysine-specific demethylase 4D-likeB2RXH2
Potency3548.1 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency39810.7 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
Potency31622.8 nMDNA polymerase betaP06746
Potency12589.3 nMLysosomal alpha-glucosidaseP10253
Potency19952.6 nMLysine-specific demethylase 4AO75164
Potency39810.7 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency79432.8 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
IC508000 nMAlpha-(1,3)-fucosyltransferase 7Q11130