Sollasin E

Details

• Internal ID: 9527c4d3-e93e-47ef-86b8-2496caeac964
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: 2,6-dimethyl-2-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-3H-pyran-4-one
• InChI: InChI=1S/C18H28O2/c1-13-7-6-8-14(2)18(13,5)10-9-17(4)12-16(19)11-15(3)20-17/h7,11,14H,6,8-10,12H2,1-5H3/t14-,17?,18-/m1/s1
• InChI Key: WHZFYNOZQWGAQX-FHKHCFAMSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₈O₂
• Molecular Weight: 276.40 g/mol
• Exact Mass: 276.208930132 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 4.00

Synonyms

• RefChem:184241
• CHEMBL520470

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.78%	97.25%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	93.70%	86.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.69%	93.40%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	92.50%	96.77%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.24%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.61%	91.11%
CHEMBL2581	P07339	Cathepsin D	87.85%	98.95%
CHEMBL4208	P20618	Proteasome component C5	87.60%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.60%	95.56%
CHEMBL1871	P10275	Androgen Receptor	87.44%	96.43%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.12%	100.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.60%	94.80%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.54%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.63%	96.09%
CHEMBL4072	P07858	Cathepsin B	80.55%	93.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9970696
• LOTUS: LTS0079305
• wikiData: Q105306087