5-Ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid

Details

• Internal ID: b601a368-d1f7-4b85-bf4b-32cc7698b2bd
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids
• IUPAC Name: 5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid
• InChI: InChI=1S/C13H14O5/c1-2-18-13(17)8-10(7-12(15)16)9-3-5-11(14)6-4-9/h3-7,14H,2,8H2,1H3,(H,15,16)
• InChI Key: YKFMYBNHALYUDC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₅
• Molecular Weight: 250.25 g/mol
• Exact Mass: 250.08412354 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 1.90

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
CHEMBL3060	Q9Y345	Glycine transporter 2	92.36%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.29%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.11%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	85.78%	94.73%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.74%	100.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.85%	97.21%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.64%	91.71%
CHEMBL4208	P20618	Proteasome component C5	81.77%	90.00%

Plants that contains it

• Sphagnum magellanicum

Cross-Links

• PubChem: 162915266
• LOTUS: LTS0057346
• wikiData: Q105349658