[(2R)-2-hydroxy-2-(4-methylphenyl)propyl] 3-phenylpropanoate

Details

• Internal ID: 2a8b21f1-1534-4225-b990-33ab5115e8f4
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Toluenes
• IUPAC Name: [(2R)-2-hydroxy-2-(4-methylphenyl)propyl] 3-phenylpropanoate
• InChI: InChI=1S/C19H22O3/c1-15-8-11-17(12-9-15)19(2,21)14-22-18(20)13-10-16-6-4-3-5-7-16/h3-9,11-12,21H,10,13-14H2,1-2H3/t19-/m0/s1
• InChI Key: GMQISLUQWTWFEE-IBGZPJMESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.40 g/mol
• Exact Mass: 298.15689456 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.40

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
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	97.36%	94.62%
CHEMBL2039	P27338	Monoamine oxidase B	96.72%	92.51%
CHEMBL2581	P07339	Cathepsin D	96.61%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.54%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.56%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.73%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	90.67%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.83%	99.17%
CHEMBL6007	O75762	Transient receptor potential cation channel subfamily A member 1	82.64%	92.17%
CHEMBL5028	O14672	ADAM10	82.07%	97.50%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.38%	97.25%

Plants that contains it

• Haplopappus remyanus

Cross-Links

• PubChem: 162931343
• LOTUS: LTS0078092
• wikiData: Q105012074