Solafuranone

Details

• Internal ID: ab8f7217-3013-4af8-a393-1d6c982e3b47
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Xylenes > m-Xylenes
• IUPAC Name: 4-[(2,6-dimethylphenyl)methyl]-5,5-dimethyloxolan-2-one
• SMILES (Canonical): CC1=C(C(=CC=C1)C)CC2CC(=O)OC2(C)C
• SMILES (Isomeric): CC1=C(C(=CC=C1)C)CC2CC(=O)OC2(C)C
• InChI: InChI=1S/C15H20O2/c1-10-6-5-7-11(2)13(10)8-12-9-14(16)17-15(12,3)4/h5-7,12H,8-9H2,1-4H3
• InChI Key: QKYZHMPSCAJJNT-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.32 g/mol
• Exact Mass: 232.146329876 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.40

Synonyms

• 367965-50-2
• FS-8395

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	95.83%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.79%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.11%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	89.05%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.53%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	88.48%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.85%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.32%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	81.57%	97.79%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.86%	96.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.02%	99.23%

Plants that contains it

• Solanum lasiocarpum

Cross-Links

• PubChem: 11637219
• LOTUS: LTS0234030
• wikiData: Q105223426