4-Pentenoic acid, 5-phenyl-

Details

• Internal ID: d10fc7aa-f9ff-4a8c-9632-3a11f6e670c7
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: 5-phenylpent-4-enoic acid
• InChI: InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)
• InChI Key: ISCHCBAXHSLKOZ-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.21 g/mol
• Exact Mass: 176.083729621 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 2.30

Synonyms

• 4-Pentenoic acid, 5-phenyl-
• SCHEMBL666894
• SCHEMBL6967264
• AKOS017482852

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	92.79%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.40%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.26%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.02%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.35%	86.33%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	88.94%	94.62%
CHEMBL2581	P07339	Cathepsin D	87.38%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.16%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	83.31%	90.17%

Plants that contains it

• Artemisia salsoloides

Cross-Links

• PubChem: 576164
• LOTUS: LTS0224051
• wikiData: Q105119394