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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
Formula C10H12O5
Net Charge 0
Average Mass 212.19930
Monoisotopic Mass 212.068
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 COc1cc(cc(OC)c1OC)C(O)=O
Metabolite of Species Details
Panax japonicus var. major (NCBI:txid45211) Found in root (BTO:0001188). Ethanolic extract of dried and pulverized roots 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.
View more via ChEBI Ontology
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 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 Xref Database
LSM-2347 LINCS
View more database links
Registry Numbers Types Sources
118-41-2 CAS Registry Number NIST Chemistry WebBook
118-41-2 CAS Registry Number ChemIDplus
884655 Beilstein Registry Number Beilstein
884655 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21417387 PubMed citation Europe PMC
3377143 PubMed citation Europe PMC
Last Modified
02 October 2018