CJ-16,169

Details

• Internal ID: 1b78afab-ad91-46d3-a240-e4db56f7f52b
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines
• IUPAC Name: (2R,3S)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-5-phenyl-2,7-dihydrofuro[2,3-b]pyridin-4-one
• InChI: InChI=1S/C19H21NO3/c1-4-12(2)17-19(3,11-21)15-16(22)14(10-20-18(15)23-17)13-8-6-5-7-9-13/h4-10,17,21H,11H2,1-3H3,(H,20,22)/b12-4+/t17-,19-/m1/s1
• InChI Key: BJRAMQBZNGBNLY-LTVUSIFUSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₁NO₃
• Molecular Weight: 311.40 g/mol
• Exact Mass: 311.15214353 g/mol
• Topological Polar Surface Area (TPSA): 58.60 Ų
• XlogP: 3.20

Synonyms

• CJ-16,169

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	96.68%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.82%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.89%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.58%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.39%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.46%	99.23%
CHEMBL1937	Q92769	Histone deacetylase 2	88.82%	94.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.31%	89.00%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	84.91%	83.10%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	82.38%	83.00%
CHEMBL2716	Q8WUI4	Histone deacetylase 7	82.34%	89.44%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.57%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10881488
• LOTUS: LTS0075036
• wikiData: Q77560067