CHEBI:40813 - 4-methoxybenzoic acid

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ChEBI Name 4-methoxybenzoic acid
ChEBI ID CHEBI:40813
Definition A methoxybenzoic acid substituted with a methoxy group at position C-4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40807, CHEBI:1889
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Formula C8H8O3
Net Charge 0
Average Mass 152.14732
Monoisotopic Mass 152.047
InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey ZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES COc1ccc(cc1)C(O)=O
Metabolite of Species Details
Ficus mucuso (NCBI:309328) Found in fruit (BTO:0000486). Methanolic extract of air-dried and powdered figs(fruits) See: PubMed
Rhododendron ferrugineum (NCBI:49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture See: PubMed
Cordyceps sinensis (NCBI:72228) Found in mycelium (BTO:0001436). Ethanolic extract of dried mycelia 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.
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ChEBI Ontology
Outgoing 4-methoxybenzoic acid (CHEBI:40813) has functional parent benzoic acid (CHEBI:30746)
4-methoxybenzoic acid (CHEBI:40813) has role plant metabolite (CHEBI:76924)
4-methoxybenzoic acid (CHEBI:40813) is a methoxybenzoic acid (CHEBI:25238)
4-methoxybenzoic acid (CHEBI:40813) is conjugate acid of 4-methoxybenzoate (CHEBI:16639)
Incoming methyl p-anisate (CHEBI:86903) has functional parent 4-methoxybenzoic acid (CHEBI:40813)
4-methoxybenzoate (CHEBI:16639) is conjugate base of 4-methoxybenzoic acid (CHEBI:40813)
IUPAC Name
4-methoxybenzoic acid
Synonyms Sources
4-Anisic acid KEGG COMPOUND
4-Methoxybenzoic acid KEGG COMPOUND
4-METHOXYBENZOIC ACID PDBeChem
anisic acid ChemIDplus
draconic acid NIST Chemistry WebBook
p-anisic acid NIST Chemistry WebBook
p-methoxybenzoic acid NIST Chemistry WebBook
Database Links Databases
ANN PDBeChem
C00029536 KNApSAcK
C02519 KEGG COMPOUND
CPD-1076 MetaCyc
DB02795 DrugBank
HMDB0001101 HMDB
P-Anisic_acid Wikipedia
View more database links
Registry Numbers Types Sources
100-09-4 CAS Registry Number KEGG COMPOUND
100-09-4 CAS Registry Number ChemIDplus
100-09-4 CAS Registry Number NIST Chemistry WebBook
100-09-4 CAS Registry Number ChemIDplus
1335-08-6 CAS Registry Number ChemIDplus
3499 Gmelin Registry Number Gmelin
508910 Beilstein Registry Number Beilstein
508910 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21443171 PubMed citation Europe PMC
21619045 PubMed citation Europe PMC
21848266 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
23 October 2015