(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide

Details

• Internal ID: fffcb3aa-e7d7-43d6-b1e0-f298cb5eb68d
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
• SMILES (Canonical): C1=CC=C(C=C1)CCNC(=O)C2C(O2)C3=CC=CC=C3
• SMILES (Isomeric): C1=CC=C(C=C1)CCNC(=O)[C@@H]2[C@H](O2)C3=CC=CC=C3
• InChI: InChI=1S/C17H17NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1
• InChI Key: GVOVFDWYHSVOSO-CVEARBPZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₇NO₂
• Molecular Weight: 267.32 g/mol
• Exact Mass: 267.125928785 g/mol
• Topological Polar Surface Area (TPSA): 41.60 Ų
• XlogP: 2.70

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
CHEMBL2581	P07339	Cathepsin D	93.49%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.09%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.58%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	91.76%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	91.18%	90.17%
CHEMBL5028	O14672	ADAM10	85.56%	97.50%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	85.08%	96.67%
CHEMBL4040	P28482	MAP kinase ERK2	84.89%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.80%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.14%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.11%	95.56%

Plants that contains it

• Clausena lansium

Cross-Links

• PubChem: 162891560
• LOTUS: LTS0041137
• wikiData: Q105021494