(3Z,6E)-3,6-dibenzylidene-1-methyl-piperazine-2,5-dione

Details

• Internal ID: 9c960bca-3af9-484e-b17e-bbd3d1d517c3
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrazines
• IUPAC Name: (3Z,6E)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
• InChI: InChI=1S/C19H16N2O2/c1-21-17(13-15-10-6-3-7-11-15)18(22)20-16(19(21)23)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13+
• InChI Key: DILBTCUXPAXMSM-RFTYBOQRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₆N₂O₂
• Molecular Weight: 304.30 g/mol
• Exact Mass: 304.121177757 g/mol
• Topological Polar Surface Area (TPSA): 49.40 Ų
• XlogP: 3.10

Synonyms

There are no found synonyms.

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	97.80%	95.56%
CHEMBL2581	P07339	Cathepsin D	95.42%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.89%	93.40%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.23%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.53%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.54%	99.23%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.05%	93.99%
CHEMBL255	P29275	Adenosine A2b receptor	83.19%	98.59%
CHEMBL3401	O75469	Pregnane X receptor	80.59%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 92237412
• LOTUS: LTS0178049
• wikiData: Q104981453