4,5,6-Trimethoxy-2-naphthalenecarboxylic acid

Details

• Internal ID: fe5c8df1-2c98-4520-b1aa-3799b26b5b28
• Taxonomy: Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids
• IUPAC Name: 4,5,6-trimethoxynaphthalene-2-carboxylic acid
• InChI: InChI=1S/C14H14O5/c1-17-10-5-4-8-6-9(14(15)16)7-11(18-2)12(8)13(10)19-3/h4-7H,1-3H3,(H,15,16)
• InChI Key: RZIAOBLRCIAMKO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₅
• Molecular Weight: 262.26 g/mol
• Exact Mass: 262.08412354 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 2.60

Synonyms

• 2-Naphthalenecarboxylic acid, 4,5,6-trimethoxy-
• 2-Naphthalenecarboxylic acid,4,5,6-trimethoxy-

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
CHEMBL1255126	O15151	Protein Mdm4	94.46%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.61%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.49%	96.09%
CHEMBL4208	P20618	Proteasome component C5	88.59%	90.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	87.32%	94.42%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.60%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.48%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.40%	95.56%
CHEMBL2535	P11166	Glucose transporter	81.31%	98.75%

Plants that contains it

• Diospyros paniculata

Cross-Links

• PubChem: 73013778
• LOTUS: LTS0205985
• wikiData: Q105248395