2-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-

Details

• Internal ID: e19fd452-57fa-4109-baf7-9f0cbb7c8165
• Taxonomy: Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids
• IUPAC Name: 4-hydroxy-5-methoxynaphthalene-2-carboxylic acid
• InChI: InChI=1S/C12H10O4/c1-16-10-4-2-3-7-5-8(12(14)15)6-9(13)11(7)10/h2-6,13H,1H3,(H,14,15)
• InChI Key: GSWMCOGLHDMELC-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₄
• Molecular Weight: 218.20 g/mol
• Exact Mass: 218.05790880 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.30

Synonyms

• 2-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-
• 2-Naphthalenecarboxylic acid,4-hydroxy-5-methoxy-

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.48%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	94.37%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.80%	95.56%
CHEMBL2535	P11166	Glucose transporter	89.96%	98.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.13%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.10%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.58%	96.09%
CHEMBL3194	P02766	Transthyretin	87.67%	90.71%
CHEMBL2581	P07339	Cathepsin D	86.43%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.19%	95.50%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.02%	96.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.53%	99.23%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	82.63%	94.42%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.91%	94.00%

Plants that contains it

• Ancistrocladus ealaensis

Cross-Links

• PubChem: 15559108
• LOTUS: LTS0081243
• wikiData: Q105018046