5-Methoxysalicylic acid

Details

• Internal ID: 76a9ba5c-a07c-419a-bdbf-fbfcfaae2ae6
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > M-methoxybenzoic acids and derivatives
• IUPAC Name: 2-hydroxy-5-methoxybenzoic acid
• SMILES (Canonical): COC1=CC(=C(C=C1)O)C(=O)O
• SMILES (Isomeric): COC1=CC(=C(C=C1)O)C(=O)O
• InChI: InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
• InChI Key: IZZIWIAOVZOBLF-UHFFFAOYSA-N
• Popularity: 156 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₈O₄
• Molecular Weight: 168.15 g/mol
• Exact Mass: 168.04225873 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.50

Synonyms

• 2-Hydroxy-5-methoxybenzoic acid
• 2612-02-4
• Benzoic acid, 2-hydroxy-5-methoxy-
• 6-hydroxy-m-anisic acid
• 5-Methoxy-2-hydroxybenzoic acid
• Acid5-methoxysalicylic
• m-Anisic acid, 6-hydroxy-
• MFCD00002459
• 5-MeOSA
• CHEBI:89830
• 5-o-METHYL GENTISIC ACID
• 2-Hydroxy-5-methoxybenzoicAcid
• 2-hydroxy-5-methoxy-benzoic acid
• 5-Methoxysalicylate
• 6-hydroxy-m-Anisate
• 6-Methoxy-m-anisate
• 5-methoxysalicyclic acid
• 6-methoxy-m-anisic acid
• 5-methoxy-salicylic acid
• 2-hydroxy-5-methoxybenzoate
• 5-Methoxy-2-hydroxybenzoate
• SCHEMBL128781
• CHEMBL452949
• 2-hydroxy 5-methoxybenzoic acid
• 5-methoxy-2-hydroxobenzoic acid
• DTXSID0062551
• NSC2579
• AMY18253
• NSC 2579
• NSC-2579
• EINECS 220-037-8
• 2-hydroxy-5-(methyloxy)benzoic acid
• s6319
• AKOS000121285
• AC-2987
• CS-W007856
• HY-W007856
• 2-Hydroxy-5-methoxybenzoic acid, 98%
• AC-16957
• AS-14602
• PD123981
• SY003499
• AI3-24048
• FT-0600625
• M1254
• EN300-21328
• I12079
• W-107199
• Q15410212
• 5-Methoxysalicylic acid 2-Hydroxy-5-methoxybenzoic acid
• Z104495362
• InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.53%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.74%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.19%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.89%	96.09%
CHEMBL4208	P20618	Proteasome component C5	90.25%	90.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	87.43%	94.42%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.94%	87.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.82%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.03%	99.17%
CHEMBL2535	P11166	Glucose transporter	85.09%	98.75%
CHEMBL3194	P02766	Transthyretin	83.72%	90.71%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.70%	95.50%
CHEMBL2581	P07339	Cathepsin D	81.78%	98.95%

Plants that contains it

• Erigeron bonariensis
• Thalictrum fargesii

Cross-Links

• PubChem: 75787
• LOTUS: LTS0208775
• wikiData: Q15410212