[2-(Methylamino)phenyl](2,4,6-trimethoxyphenyl)methanone

Details

• Internal ID: 3b7e84d4-2b27-4789-8209-10422a710696
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: [2-(methylamino)phenyl]-(2,4,6-trimethoxyphenyl)methanone
• SMILES (Canonical): CNC1=CC=CC=C1C(=O)C2=C(C=C(C=C2OC)OC)OC
• SMILES (Isomeric): CNC1=CC=CC=C1C(=O)C2=C(C=C(C=C2OC)OC)OC
• InChI: InChI=1S/C17H19NO4/c1-18-13-8-6-5-7-12(13)17(19)16-14(21-3)9-11(20-2)10-15(16)22-4/h5-10,18H,1-4H3
• InChI Key: QJOXEVMFTGODDY-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34 g/mol
• Exact Mass: 301.13140809 g/mol
• Topological Polar Surface Area (TPSA): 56.80 Ų
• XlogP: 3.70

Synonyms

• Tecleanone
• NSC196521
• [2-(Methylamino)phenyl](2,4,6-trimethoxyphenyl)methanone
• SCHEMBL8628736
• DTXSID90307914
• NSC-196521

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.44%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.71%	91.11%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	94.39%	95.50%
CHEMBL2535	P11166	Glucose transporter	93.15%	98.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.17%	95.56%
CHEMBL4208	P20618	Proteasome component C5	88.31%	90.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	87.06%	91.07%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.97%	86.33%
CHEMBL2581	P07339	Cathepsin D	84.81%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	83.69%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.21%	96.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.14%	94.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	81.92%	96.00%
CHEMBL1255126	O15151	Protein Mdm4	80.98%	90.20%

Plants that contains it

• Citropsis articulata
• Vepris gerrardii
• Vepris grandifolia
• Vepris hiernii
• Vepris renieri
• Vepris suaveolens
• Vepris verdoorniana

Cross-Links

• PubChem: 304461
• LOTUS: LTS0222358
• wikiData: Q82055517