1-(4-Hydroxyphenyl)hexadecan-5-one

Details

• Internal ID: abee7343-aa40-44e1-9212-fe71c4ccaf03
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 1-(4-hydroxyphenyl)hexadecan-5-one
• InChI: InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-14-21(23)15-12-11-13-20-16-18-22(24)19-17-20/h16-19,24H,2-15H2,1H3
• InChI Key: OEAADKUEZAWBAU-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₆O₂
• Molecular Weight: 332.50 g/mol
• Exact Mass: 332.271530387 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 7.50

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
CHEMBL2581	P07339	Cathepsin D	98.26%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.03%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.02%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.83%	92.08%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	91.45%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.12%	91.11%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.90%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.81%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.83%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	83.52%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.96%	86.33%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	82.19%	92.86%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	81.35%	95.17%

Plants that contains it

• Capitanopsis albida

Cross-Links

• PubChem: 86170129
• LOTUS: LTS0076657
• wikiData: Q105190134