methyl 3,4-dihydroxybenzoate (CHEBI:132366)

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ChEBI Name	methyl 3,4-dihydroxybenzoate

ChEBI ID	CHEBI:132366

Definition	A methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol.

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

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O4

Net Charge

Average Mass

168.147

Monoisotopic Mass

168.04226

InChI

InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3

InChIKey

CUFLZUDASVUNOE-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(=C(C=C1)O)O)OC

Metabolite of Species	Details
Senna italica (NCBI:txid346974)	Found in aerial part (BTO:0001658). See: PubMed
Nauclea orientalis (NCBI:txid43526)	Found in stem (BTO:0001300). See: PubMed
Sorghum bicolor (NCBI:txid4558)	Found in seed (BTO:0001226). See: PubMed
Tagetes patula (NCBI:txid55843)	Found in flower (BTO:0000469). 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):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	methyl 3,4-dihydroxybenzoate (CHEBI:132366) has functional parent 3,4-dihydroxybenzoic acid (CHEBI:36062) methyl 3,4-dihydroxybenzoate (CHEBI:132366) has role antioxidant (CHEBI:22586) methyl 3,4-dihydroxybenzoate (CHEBI:132366) has role neuroprotective agent (CHEBI:63726) methyl 3,4-dihydroxybenzoate (CHEBI:132366) has role plant metabolite (CHEBI:76924) methyl 3,4-dihydroxybenzoate (CHEBI:132366) is a catechols (CHEBI:33566) methyl 3,4-dihydroxybenzoate (CHEBI:132366) is a methyl ester (CHEBI:25248)

IUPAC Name

methyl 3,4-dihydroxybenzoate

Synonyms	Sources
3,4-dihydroxybenzoic acid methyl ester	ChemIDplus
MDHB	ChEBI
methyl protocatechuate	ChemIDplus
protocatechuic acid, methyl ester	ChemIDplus

Last Modified

05 July 2016