2-Cyclohexen-1-one, 3-phenyl-, oxime

Details

• Internal ID: 6767e874-2771-488e-b4f1-2135a9a8caa2
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: (NE)-N-(3-phenylcyclohex-2-en-1-ylidene)hydroxylamine
• SMILES (Canonical): C1CC(=CC(=NO)C1)C2=CC=CC=C2
• SMILES (Isomeric): C1CC(=C/C(=N/O)/C1)C2=CC=CC=C2
• InChI: InChI=1S/C12H13NO/c14-13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2/b13-12+
• InChI Key: QSMFHIJSESUHFA-OUKQBFOZSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.24 g/mol
• Exact Mass: 187.099714038 g/mol
• Topological Polar Surface Area (TPSA): 32.60 Ų
• XlogP: 2.30

Synonyms

• 88141-37-1

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.70%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.75%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.41%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.57%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.68%	95.50%
CHEMBL221	P23219	Cyclooxygenase-1	83.39%	90.17%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.22%	93.99%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	81.72%	94.62%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	80.71%	94.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.30%	96.09%

Plants that contains it

• Menispermum dauricum
• Sinomenium acutum

Cross-Links

• PubChem: 9577267
• NPASS: NPC136547