1,2,4-Trimethoxynaphthalene

Details

• Internal ID: 76f492c1-e21f-4b07-9b0b-d5259612125c
• Taxonomy: Benzenoids > Naphthalenes
• IUPAC Name: 1,2,4-trimethoxynaphthalene
• InChI: InChI=1S/C13H14O3/c1-14-11-8-12(15-2)13(16-3)10-7-5-4-6-9(10)11/h4-8H,1-3H3
• InChI Key: WYZRFRHDHZZWIH-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25 g/mol
• Exact Mass: 218.094294304 g/mol
• Topological Polar Surface Area (TPSA): 27.70 Ų
• XlogP: 3.10

Synonyms

• 1,2,4-trimethoxy-naphthalene
• 60683-53-6
• SCHEMBL3670609
• DTXSID50424030

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	95.17%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.78%	95.56%
CHEMBL2535	P11166	Glucose transporter	89.41%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.07%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.40%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.56%	96.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	82.89%	89.62%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.91%	94.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.87%	94.03%

Plants that contains it

• Pseudomarsupidium decipiens

Cross-Links

• PubChem: 6431119
• LOTUS: LTS0184661
• wikiData: Q82236436