2-Ethyl-4-methoxy-6-methylpyridine-3,5-diol

Details

• Internal ID: f7300390-8c99-432c-bb6c-8c8562294ac5
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Ethers > Alkyl aryl ethers
• IUPAC Name: 2-ethyl-4-methoxy-6-methylpyridine-3,5-diol
• SMILES (Canonical): CCC1=NC(=C(C(=C1O)OC)O)C
• SMILES (Isomeric): CCC1=NC(=C(C(=C1O)OC)O)C
• InChI: InChI=1S/C9H13NO3/c1-4-6-8(12)9(13-3)7(11)5(2)10-6/h11-12H,4H2,1-3H3
• InChI Key: GLZWKZZDRTWUTE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃NO₃
• Molecular Weight: 183.20 g/mol
• Exact Mass: 183.08954328 g/mol
• Topological Polar Surface Area (TPSA): 62.60 Ų
• XlogP: 1.30

Synonyms

There are no found synonyms.

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.63%	94.00%
CHEMBL235	P37231	Peroxisome proliferator-activated receptor gamma	91.38%	95.39%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.52%	95.50%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.73%	85.14%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	86.48%	92.68%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.97%	93.65%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.44%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.05%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.54%	91.11%
CHEMBL2581	P07339	Cathepsin D	80.53%	98.95%

Plants that contains it

• Albizia lucidior

Cross-Links

• PubChem: 163192262
• LOTUS: LTS0147492
• wikiData: Q105011539