4-[(1S,2S)-1-ethoxy-2-hydroxypropyl]phenol

Details

• Internal ID: d9122b93-07dd-443e-a8b1-2373fe7abd09
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylpropanes
• IUPAC Name: 4-[(1S,2S)-1-ethoxy-2-hydroxypropyl]phenol
• SMILES (Canonical): CCOC(C1=CC=C(C=C1)O)C(C)O
• SMILES (Isomeric): CCO[C@@H](C1=CC=C(C=C1)O)[C@H](C)O
• InChI: InChI=1S/C11H16O3/c1-3-14-11(8(2)12)9-4-6-10(13)7-5-9/h4-8,11-13H,3H2,1-2H3/t8-,11+/m0/s1
• InChI Key: DEWMLNMGECEYBQ-GZMMTYOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.24 g/mol
• Exact Mass: 196.109944368 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 1.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.09%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.13%	98.95%
CHEMBL242	Q92731	Estrogen receptor beta	92.75%	98.35%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.88%	94.45%
CHEMBL4208	P20618	Proteasome component C5	88.44%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.25%	91.11%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	85.63%	93.10%
CHEMBL301	P24941	Cyclin-dependent kinase 2	84.24%	91.23%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.78%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	81.29%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.15%	99.17%

Plants that contains it

• Narvalina domingensis
• Physalis peruviana

Cross-Links

• PubChem: 101992391
• LOTUS: LTS0200405
• wikiData: Q105268084