3,5-Diprenyl-4-hydroxyacetophenone

Details

• Internal ID: e179e505-a417-4700-b7f5-e368d920832b
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone
• InChI: InChI=1S/C18H24O2/c1-12(2)6-8-15-10-17(14(5)19)11-16(18(15)20)9-7-13(3)4/h6-7,10-11,20H,8-9H2,1-5H3
• InChI Key: XVTRUNNIGJWXKK-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.40 g/mol
• Exact Mass: 272.177630004 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.10

Synonyms

• Spectrum_000418
• Spectrum2_000609
• Spectrum3_000885
• Spectrum4_000977
• Spectrum5_000939
• KBioGR_001353
• KBioSS_000898
• SPBio_000518
• SCHEMBL4117028
• KBio2_000898
• KBio2_003466
• KBio2_006034
• CCG-38568
• 3,5-DIPRENYL-4-HYDROXYACETOPHENONE

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	96.74%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.57%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	90.22%	94.73%
CHEMBL2581	P07339	Cathepsin D	89.63%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.98%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.52%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.96%	96.09%
CHEMBL4208	P20618	Proteasome component C5	82.29%	90.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.65%	96.95%

Plants that contains it

• Flourensia heterolepis
• Gerbera linnaei
• Ophryosporus heptanthus
• Oreoseris gossypina
• Senecio gallicus

Cross-Links

• PubChem: 6710633
• LOTUS: LTS0091606
• wikiData: Q105343148