CHEBI:454991 - 3,4,5-trimethoxybenzoic acid

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ChEBI Name 3,4,5-trimethoxybenzoic acid
ChEBI ID CHEBI:454991
Definition A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H12O5
Net Charge 0
Average Mass 212.201
Monoisotopic Mass 212.06847
InChI InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey SJSOFNCYXJUNBT-UHFFFAOYSA-N
SMILES COC1=CC(=CC(OC)=C1OC)C(O)=O
Metabolite of Species Details
Acorus tatarinowii (NCBI:txid123564) See: PubMed
Melicope pteleifolia (NCBI:txid354501) See: PubMed
Panax japonicus var. major (NCBI:txid45211) Found in root (BTO:0001188). Ethanolic extract of dried and pulverized roots See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
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ChEBI Ontology
Outgoing 3,4,5-trimethoxybenzoic acid (CHEBI:454991) has functional parent benzoic acid (CHEBI:30746)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) has role human urinary metabolite (CHEBI:84087)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) has role human xenobiotic metabolite (CHEBI:76967)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) has role plant metabolite (CHEBI:76924)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) is a benzoic acids (CHEBI:22723)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) is a methoxybenzenes (CHEBI:51683)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) is conjugate acid of 3,4,5-trimethoxybenzoate (CHEBI:58989)
Incoming 3β-[(β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4,5-trimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65620) has functional parent 3,4,5-trimethoxybenzoic acid (CHEBI:454991)
3β-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4,5-trimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65626) has functional parent 3,4,5-trimethoxybenzoic acid (CHEBI:454991)
3β-[(O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4,5-trimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65624) has functional parent 3,4,5-trimethoxybenzoic acid (CHEBI:454991)
rauvomitine (CHEBI:142029) has functional parent 3,4,5-trimethoxybenzoic acid (CHEBI:454991)
3,4,5-trimethoxybenzoate (CHEBI:58989) is conjugate base of 3,4,5-trimethoxybenzoic acid (CHEBI:454991)
IUPAC Name
3,4,5-trimethoxybenzoic acid
Synonyms Sources
5-methoxy-veratric acid ChemIDplus
Eudesmic acid ChemIDplus
Gallic acid trimethyl ether ChemIDplus
Tri-O-methylgallic acid ChemIDplus
Trimethylgallic acid NIST Chemistry WebBook
Manual Xrefs Databases
8054 ChemSpider
C00029476 KNApSAcK
Eudesmic_acid Wikipedia
FDB012013 FooDB
H5A PDBeChem
HMDB0033839 HMDB
LSM-2347 LINCS
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Registry Numbers Types Sources
118-41-2 CAS Registry Number ChemIDplus
118-41-2 CAS Registry Number NIST Chemistry WebBook
884655 Beilstein Registry Number Beilstein
884655 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16679051 PubMed citation Europe PMC
21417387 PubMed citation Europe PMC
29877794 PubMed citation Europe PMC
30599 PubMed citation Europe PMC
31128148 PubMed citation Europe PMC
33648406 PubMed citation Europe PMC
33660910 PubMed citation Europe PMC
3377143 PubMed citation Europe PMC
Last Modified
02 June 2021