5-(4-Hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Details

• Internal ID: da22cd08-a3f6-4542-b993-4cb9e822e176
• Taxonomy: Organoheterocyclic compounds > Piperidines > N-acylpiperidines
• IUPAC Name: 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
• SMILES (Canonical): C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O
• SMILES (Isomeric): C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O
• InChI: InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2
• InChI Key: QDAARMDLSCDBFU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₉NO₂
• Molecular Weight: 257.33 g/mol
• Exact Mass: 257.141578849 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.00

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.16%	95.56%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	89.82%	83.57%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.52%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.90%	86.33%
CHEMBL2581	P07339	Cathepsin D	86.00%	98.95%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	85.41%	91.71%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	84.95%	93.10%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.13%	89.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.05%	90.71%
CHEMBL4208	P20618	Proteasome component C5	82.12%	90.00%

Plants that contains it

• Piper nigrum

Cross-Links

• PubChem: 86001004
• LOTUS: LTS0211320
• wikiData: Q105218687