2-Oxiranecarboxamide, N-methyl-3-phenyl-N-[(1Z)-2-phenylethenyl]-, (2S,3R)-

Details

• Internal ID: 15701de0-fe17-480c-a7c9-d3754ffb4e15
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (2S,3R)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
• SMILES (Canonical): CN(C=CC1=CC=CC=C1)C(=O)C2C(O2)C3=CC=CC=C3
• SMILES (Isomeric): CN(/C=C\C1=CC=CC=C1)C(=O)[C@@H]2[C@H](O2)C3=CC=CC=C3
• InChI: InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12-/t16-,17+/m1/s1
• InChI Key: SZEAIHVOVOPANP-MCYMDBPJSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₇NO₂
• Molecular Weight: 279.30 g/mol
• Exact Mass: 279.125928785 g/mol
• Topological Polar Surface Area (TPSA): 32.80 Ų
• XlogP: 2.90

Synonyms

• 2-Oxiranecarboxamide, N-methyl-3-phenyl-N-[(1Z)-2-phenylethenyl]-, (2S,3R)-
• DTXSID101152267
• AKOS040749410
• (2S,3R)-N-Methyl-3-phenyl-N-[(1Z)-2-phenylethenyl]-2-oxiranecarboxamide

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
CHEMBL3401	O75469	Pregnane X receptor	94.37%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.83%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.65%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.50%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.40%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.27%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	88.58%	90.17%
CHEMBL2581	P07339	Cathepsin D	85.72%	98.95%
CHEMBL5028	O14672	ADAM10	84.41%	97.50%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.77%	89.00%

Plants that contains it

• Clausena lansium

Cross-Links

• PubChem: 10492939
• LOTUS: LTS0061053
• wikiData: Q105264070