Onosmin B
| Internal ID | cc94087f-ce72-4849-9b87-ce118b04acc2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylmethylamines > Phenylbenzamines |
| IUPAC Name | methyl 2-[(4-methylphenyl)methylamino]benzoate |
| SMILES (Canonical) | CC1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)OC |
| SMILES (Isomeric) | CC1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)OC |
| InChI | InChI=1S/C16H17NO2/c1-12-7-9-13(10-8-12)11-17-15-6-4-3-5-14(15)16(18)19-2/h3-10,17H,11H2,1-2H3 |
| InChI Key | YBTJTIATNGZKEJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.31 g/mol |
| Exact Mass | 255.125928785 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 4.20 |
| Methyl 2-[(4-methylbenzyl)amino]benzoate |
| Methyl 2-[(4-methylphenyl)methylamino]benzoate |
| CHEBI:66822 |
| AKOS009059751 |
| Q27135455 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.04% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.73% | 90.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.67% | 93.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.95% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.70% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.21% | 94.00% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 83.08% | 90.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.98% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.43% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.21% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.17% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 80.77% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.68% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Onosma hispida |
| PubChem | 11334308 |
| LOTUS | LTS0150541 |
| wikiData | Q27135455 |