methyl 3,4,5-trihydroxybenzoate (CHEBI:145828)

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ChEBI Name	methyl 3,4,5-trihydroxybenzoate

ChEBI ID	CHEBI:145828

Definition	A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

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Formula

C8H8O5

Net Charge

Average Mass

184.147

Monoisotopic Mass

184.03717

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChIKey

FBSFWRHWHYMIOG-UHFFFAOYSA-N

SMILES

OC1=CC(=CC(O)=C1O)C(OC)=O

Metabolite of Species	Details
Geranium niveum (IPNI:109230-2)	See: PubMed
Alchornea cordifolia (NCBI:txid316697)	Found in bark (BTO:0001301). Isolated from stem bark. See: PubMed
Paeonia anomala (NCBI:txid40698)	Found in fruit (BTO:0000486). See: DOI
Paeonia suffruticosa (NCBI:txid45171)	Found in bark (BTO:0001301). Isolated from root bark. See: PubMed
Terminalia myriocarpa (NCBI:txid578554)	Found in leaf (BTO:0000713). See: PubMed
Acer saccharinum (NCBI:txid75745)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role anti-inflammatory agent (CHEBI:67079) methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role antioxidant (CHEBI:22586) methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role plant metabolite (CHEBI:76924) methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) is a gallate ester (CHEBI:37576)

IUPAC Name

methyl 3,4,5-trihydroxybenzoate

Synonyms	Sources
3,4,5-trihydroxy-benzoic acid methyl ester	ChemIDplus
gallic acid methyl ester	ChemIDplus
methyl gallate	ChemIDplus
methylgallate	ChemIDplus

Last Modified

21 January 2020