3-Benzyl-3,6-dihydroxy-6-(2-methylpropyl)piperazine-2,5-dione

Details

• Internal ID: 744b72da-3d58-4abd-b820-3313708efc3e
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: 3-benzyl-3,6-dihydroxy-6-(2-methylpropyl)piperazine-2,5-dione
• InChI: InChI=1S/C15H20N2O4/c1-10(2)8-14(20)12(18)17-15(21,13(19)16-14)9-11-6-4-3-5-7-11/h3-7,10,20-21H,8-9H2,1-2H3,(H,16,19)(H,17,18)
• InChI Key: BFFIQSKYESGUSO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀N₂O₄
• Molecular Weight: 292.33 g/mol
• Exact Mass: 292.14230712 g/mol
• Topological Polar Surface Area (TPSA): 98.70 Ų
• XlogP: 0.90

Synonyms

• AKOS040736907

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	98.46%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	95.00%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.26%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.67%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.11%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.70%	94.45%
CHEMBL4208	P20618	Proteasome component C5	85.82%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.31%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	82.27%	94.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76156945
• LOTUS: LTS0201683
• wikiData: Q103816702