1-(1-Hydroxy-8-methoxynaphthalen-2-yl)ethanone

Details

• Internal ID: 7ca45ad0-92d7-4b88-a5fe-f169fa2c4732
• Taxonomy: Benzenoids > Naphthalenes > Naphthols and derivatives
• IUPAC Name: 1-(1-hydroxy-8-methoxynaphthalen-2-yl)ethanone
• SMILES (Canonical): CC(=O)C1=C(C2=C(C=CC=C2OC)C=C1)O
• SMILES (Isomeric): CC(=O)C1=C(C2=C(C=CC=C2OC)C=C1)O
• InChI: InChI=1S/C13H12O3/c1-8(14)10-7-6-9-4-3-5-11(16-2)12(9)13(10)15/h3-7,15H,1-2H3
• InChI Key: XNWOWNYWQOTWIX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₂O₃
• Molecular Weight: 216.23 g/mol
• Exact Mass: 216.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.48%	91.11%
CHEMBL2535	P11166	Glucose transporter	94.75%	98.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.44%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.21%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.48%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	87.93%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.23%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.23%	96.00%
CHEMBL2581	P07339	Cathepsin D	83.27%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.50%	99.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.98%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.82%	94.45%

Plants that contains it

• Karwinskia parvifolia

Cross-Links

• PubChem: 130032660
• LOTUS: LTS0131231
• wikiData: Q104074209