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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O5
Molecular Weight 184.1461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROXY-5-METHOXYBENZOIC ACID

SMILES

COC1=C(O)C(O)=CC(=C1)C(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H8O5
Molecular Weight 184.1461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase.
2001 Feb
Antioxidant activity of phenolic and related compounds: a density functional theory study on the O-H bond dissociation enthalpy.
2004
Genetic and biochemical investigations on bacterial catabolic pathways for lignin-derived aromatic compounds.
2007 Jan
Biotransformation of gallic acid by Beauveria sulfurescens ATCC 7159.
2007 Mar
Degradation of 3-O-methylgallate in Sphingomonas paucimobilis SYK-6 by pathways involving protocatechuate 4,5-dioxygenase.
2007 Sep
Identification of Cabernet Sauvignon anthocyanin gut microflora metabolites.
2008 Oct 8
Anti-ischemic activity and endothelium-dependent vasorelaxant effect of hydrolysable tannins from the leaves of Rhus coriaria (Sumac) in isolated rabbit heart and thoracic aorta.
2009 Nov
Comparative genome analysis provides insights into the evolution and adaptation of Pseudomonas syringae pv. aesculi on Aesculus hippocastanum.
2010 Apr 19
Gut metabolites of anthocyanins, gallic acid, 3-O-methylgallic acid, and 2,4,6-trihydroxybenzaldehyde, inhibit cell proliferation of Caco-2 cells.
2010 May 12
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:46:35 GMT 2023
Edited
by admin
on Fri Dec 15 19:46:35 GMT 2023
Record UNII
8JA4OZ7166
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDROXY-5-METHOXYBENZOIC ACID
Systematic Name English
3-O-METHYLGALLIC ACID
Systematic Name English
PROTOCATECHUIC ACID, 5-METHOXY-
Common Name English
4,5-DIHYDROXY-3-METHOXYBENZOIC ACID
Systematic Name English
4,5-DIHYDROXY-M-ANISIC ACID
Systematic Name English
3-METHOXYGALLIC ACID
Systematic Name English
GALLIC ACID 3-METHYL ETHER
Common Name English
BENZOIC ACID, 3,4-DIHYDROXY-5-METHOXY-
Common Name English
3-METHOXY-4,5-DIHYDROXYBENZOIC ACID
Systematic Name English
5-HYDROXYVANILLIC ACID
Systematic Name English
Code System Code Type Description
CAS
3934-84-7
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-512-8
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
CHEBI
28647
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
FDA UNII
8JA4OZ7166
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
PUBCHEM
19829
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID10192561
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY
MESH
C025525
Created by admin on Fri Dec 15 19:46:35 GMT 2023 , Edited by admin on Fri Dec 15 19:46:35 GMT 2023
PRIMARY