Suranone

Details

• Internal ID: eee9b386-0407-4fba-a121-9d9c21b22f42
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
• InChI: InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)24-22(26)19-17-20-23(24)27/h10-11,17,19-20,26-27H,2-9,12-16,18H2,1H3/b11-10-
• InChI Key: WBXXVNCMCIJAIX-KHPPLWFESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.60 g/mol
• Exact Mass: 374.28209507 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 8.90

Synonyms

• (Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one

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	97.79%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.69%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.57%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	93.97%	89.63%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.68%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.10%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.08%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.48%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	88.25%	94.73%
CHEMBL1781	P11387	DNA topoisomerase I	86.80%	97.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.28%	93.99%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.69%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.01%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	80.00%	90.17%

Plants that contains it

• Peperomia blanda

Cross-Links

• PubChem: 10948772
• LOTUS: LTS0190873
• wikiData: Q105301144