1,1,5-Trimethylfuro[3,4-c]pyridine-3,4-dione

Details

• Internal ID: 72556bc0-c571-44e4-8cad-d165e2bfdc35
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids
• IUPAC Name: 1,1,5-trimethylfuro[3,4-c]pyridine-3,4-dione
• SMILES (Canonical): CC1(C2=C(C(=O)N(C=C2)C)C(=O)O1)C
• SMILES (Isomeric): CC1(C2=C(C(=O)N(C=C2)C)C(=O)O1)C
• InChI: InChI=1S/C10H11NO3/c1-10(2)6-4-5-11(3)8(12)7(6)9(13)14-10/h4-5H,1-3H3
• InChI Key: ANFMKCSQXDEJMT-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.07389321 g/mol
• Topological Polar Surface Area (TPSA): 46.60 Ų
• XlogP: 0.20

Synonyms

• NSC664901
• 1,1,5-trimethylfuro[3,4-c]pyridine-3,4-dione
• 1,1,5-Trimethylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
• CHEMBL1971143
• DTXSID50327537
• NSC-664901
• NCI60_022352
• 3,1,5-trimethyl-1,3,4,5-tetrahydrofuro-[3,4-c]-pyridine
• 3,4-Dioxo-1,1,5-trimethyl-1,3,4,5-tetrahydrofuro-[3,4-c]-pyridine

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.69%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.16%	98.95%
CHEMBL4208	P20618	Proteasome component C5	91.28%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.07%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.96%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.27%	94.00%

Plants that contains it

• Ceropegia juncea

Cross-Links

• PubChem: 379803
• LOTUS: LTS0180017
• wikiData: Q82089406