2-(4-Hydroxy-8-phenylocta-1,5,7-trienyl)-2,3-dihydropyran-6-one

Details

• Internal ID: 044a56c7-05f5-4d48-8ae6-bee1265562e8
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: 2-(4-hydroxy-8-phenylocta-1,5,7-trienyl)-2,3-dihydropyran-6-one
• SMILES (Canonical): C1C=CC(=O)OC1C=CCC(C=CC=CC2=CC=CC=C2)O
• SMILES (Isomeric): C1C=CC(=O)OC1C=CCC(C=CC=CC2=CC=CC=C2)O
• InChI: InChI=1S/C19H20O3/c20-17(11-5-4-10-16-8-2-1-3-9-16)12-6-13-18-14-7-15-19(21)22-18/h1-11,13,15,17-18,20H,12,14H2
• InChI Key: JYPSBSSKEFYVHX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₃
• Molecular Weight: 296.40 g/mol
• Exact Mass: 296.14124450 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.60

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	94.06%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.85%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.35%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.67%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.62%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.27%	96.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.20%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.57%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.69%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.27%	97.09%

Plants that contains it

• Cryptocarya liebertiana

Cross-Links

• PubChem: 162965035
• LOTUS: LTS0238302
• wikiData: Q105137142