Cycloarthropsone

Details

• Internal ID: 524726bd-2209-4db4-85b0-1644fa29a4ea
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 2,7-dihydroxy-2-methyl-4-[(E)-prop-1-enyl]-1-benzofuran-3-one
• InChI: InChI=1S/C12H12O4/c1-3-4-7-5-6-8(13)10-9(7)11(14)12(2,15)16-10/h3-6,13,15H,1-2H3/b4-3+
• InChI Key: SVQLGEIJJVYXML-ONEGZZNKSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₄
• Molecular Weight: 220.22 g/mol
• Exact Mass: 220.07355886 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 1.80

Synonyms

• 2,7-dihydroxy-2-methyl-4-((E)-prop-1-enyl)-1-benzofuran-3-one
• 2,7-dihydroxy-2-methyl-4-[(E)-prop-1-enyl]-1-benzofuran-3-one
• RefChem:129364

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	99.24%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.15%	91.49%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.45%	94.45%
CHEMBL2581	P07339	Cathepsin D	91.54%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.99%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.35%	89.00%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	89.91%	85.30%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.72%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	83.85%	94.73%
CHEMBL4208	P20618	Proteasome component C5	83.84%	90.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.27%	96.00%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	80.42%	85.11%
CHEMBL3194	P02766	Transthyretin	80.41%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.37%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101417389
• LOTUS: LTS0192024
• wikiData: Q105262374