Ethyl 3-(3,4-dihydroxyphenyl) lactate

Details

• Internal ID: 2c76b5d5-7feb-4693-be71-868600b7fa72
• Taxonomy: Benzenoids > Phenols > Benzenediols > Catechols
• IUPAC Name: ethyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
• InChI: InChI=1S/C11H14O5/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,2,6H2,1H3
• InChI Key: PFNTZFUZCHVMEE-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₅
• Molecular Weight: 226.23 g/mol
• Exact Mass: 226.08412354 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 0.50

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	95.72%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.00%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	89.63%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.58%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.28%	91.11%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	88.49%	92.68%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.44%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.72%	96.95%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.34%	93.65%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.97%	97.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.61%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.92%	95.50%
CHEMBL4208	P20618	Proteasome component C5	83.21%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.27%	86.33%
CHEMBL2535	P11166	Glucose transporter	81.96%	98.75%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.49%	90.24%

Plants that contains it

• Nepeta prattii

Cross-Links

• PubChem: 57507560
• LOTUS: LTS0099711
• wikiData: Q105207868