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Chemical structure of 3-O-Methylgallic acid

GC60507

3-O-Methylgallic acid

Also known as 3,4-dihydroxy-5-methoxybenzoic acid

3-O-Methylgallic acid (3,4-Dihydroxy-5-methoxybenzoic acid) is an anthocyanin metabolite and has potent antioxidant capacity· 3-O-methylgallic acid inhibits Caco-2 cell proliferation with an IC50 value of 24·1 μM· 3-O-methylgallic acid also induces cell apoptosis and has anti-cancer effects

ChemicalCAS3934-84-7MW184.15FormulaC8H8O5
CAS number
3934-84-7
Molecular weight
184.15
Formula
C8H8O5
Solubility
DMSO： 50 mg/mL (271·52 mM); Water： 2·2 mg/mL (11·95 mM)
InChIKey
KWCCUYSXAYTNKA-UHFFFAOYSA-N
Catalogue number
GC60507
Brand
GLPBIO
Computed properties PubChem CID 19829 · XLogP 0.7 · TPSA 87 Ų · H-bond donors 3
XLogP
0.7
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

SMILES COC1=CC(=CC(=C1O)O)C(=O)O

Computed descriptors from PubChem (CID 19829), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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