Lavjuismiztlgi-uhfffaoysa-

Details

• Internal ID: e6eab2df-906e-4717-a846-8ec21f4aa731
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 7-ethyl-4-methoxy-7H-furo[3,4-b]pyran-2,5-dione
• SMILES (Canonical): CCC1C2=C(C(=CC(=O)O2)OC)C(=O)O1
• SMILES (Isomeric): CCC1C2=C(C(=CC(=O)O2)OC)C(=O)O1
• InChI: InChI=1S/C10H10O5/c1-3-5-9-8(10(12)14-5)6(13-2)4-7(11)15-9/h4-5H,3H2,1-2H3
• InChI Key: LAVJUISMIZTLGI-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₅
• Molecular Weight: 210.18 g/mol
• Exact Mass: 210.05282342 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 0.60

Synonyms

• CHEMBL448546
• SCHEMBL21776497
• LAVJUISMIZTLGI-UHFFFAOYSA-
• InChI=1/C10H10O5/c1-3-5-9-8(10(12)14-5)6(13-2)4-7(11)15-9/h4-5H,3H2,1-2H3

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.08%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.55%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.79%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.38%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.55%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.82%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	86.80%	94.73%
CHEMBL255	P29275	Adenosine A2b receptor	86.57%	98.59%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.92%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.53%	99.17%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.03%	93.99%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.34%	96.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.23%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11492190
• LOTUS: LTS0130514
• wikiData: Q104170770