3-(3-Methoxy-5-phenylfuran-2-yl)propan-1-ol

Details

• Internal ID: 3ce8ddde-25dc-4843-8b68-3df5aedcdf83
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Ethers > Alkyl aryl ethers
• IUPAC Name: 3-(3-methoxy-5-phenylfuran-2-yl)propan-1-ol
• SMILES (Canonical): COC1=C(OC(=C1)C2=CC=CC=C2)CCCO
• SMILES (Isomeric): COC1=C(OC(=C1)C2=CC=CC=C2)CCCO
• InChI: InChI=1S/C14H16O3/c1-16-14-10-13(11-6-3-2-4-7-11)17-12(14)8-5-9-15/h2-4,6-7,10,15H,5,8-9H2,1H3
• InChI Key: MOBAYKZFVBNHTJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆O₃
• Molecular Weight: 232.27 g/mol
• Exact Mass: 232.109944368 g/mol
• Topological Polar Surface Area (TPSA): 42.60 Ų
• XlogP: 2.60

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	95.85%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.68%	86.33%
CHEMBL2581	P07339	Cathepsin D	94.31%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.96%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.11%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.00%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.61%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.01%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.74%	96.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	83.64%	94.03%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.87%	96.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.58%	93.99%

Plants that contains it

• Chrozophora oblongifolia

Cross-Links

• PubChem: 162971639
• LOTUS: LTS0251548
• wikiData: Q105168740