Phenol, 3-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-

Details

• Internal ID: 838de76d-a088-48d1-b854-7f91fd79addf
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 3-[2-(4-hydroxyphenyl)ethyl]-5-methoxyphenol
• SMILES (Canonical): COC1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O
• SMILES (Isomeric): COC1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O
• InChI: InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h4-10,16-17H,2-3H2,1H3
• InChI Key: NSBYGUHECONSDC-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.28 g/mol
• Exact Mass: 244.109944368 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 3.40

Synonyms

• 67884-29-1
• CHEMBL448371
• SCHEMBL16568144
• DTXSID30434213
• 3,4'-dihydroxy-5-methoxybibenzyl

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	95.44%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.32%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.50%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.43%	99.17%
CHEMBL4208	P20618	Proteasome component C5	88.80%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.86%	86.33%
CHEMBL2535	P11166	Glucose transporter	86.63%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.25%	94.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.09%	86.92%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.98%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.48%	96.95%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.13%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	83.38%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.41%	95.56%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.21%	92.68%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.67%	91.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.38%	95.89%
CHEMBL240	Q12809	HERG	80.61%	89.76%

Plants that contains it

• Bulbophyllum triste
• Cannabis sativa
• Combretum apiculatum
• Dendrobium amoenum
• Epidendrum rigidum
• Pholidota chinensis

Cross-Links

• PubChem: 10014709
• LOTUS: LTS0055336
• wikiData: Q82248559