Methyl 8-(3-methoxy-3-methylbutyl)-2-methylquinoline-4-carboxylate
| Internal ID | 4caa741d-fbba-4dbe-a8f7-3c4a09e8ad58 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | methyl 8-(3-methoxy-3-methylbutyl)-2-methylquinoline-4-carboxylate |
| SMILES (Canonical) | CC1=NC2=C(C=CC=C2C(=C1)C(=O)OC)CCC(C)(C)OC |
| SMILES (Isomeric) | CC1=NC2=C(C=CC=C2C(=C1)C(=O)OC)CCC(C)(C)OC |
| InChI | InChI=1S/C18H23NO3/c1-12-11-15(17(20)21-4)14-8-6-7-13(16(14)19-12)9-10-18(2,3)22-5/h6-8,11H,9-10H2,1-5H3 |
| InChI Key | CNQOOEVGHXHNPR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H23NO3 |
| Molecular Weight | 301.40 g/mol |
| Exact Mass | 301.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 48.40 Ų |
| XlogP | 3.50 |
| methyl 8-(3-methoxy-3-methylbutyl)-2-methylquinoline-4-carboxylate |
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.38% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.47% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.41% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.31% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.24% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.75% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.53% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.43% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 84.07% | 89.76% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.23% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 81.56% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.36% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.00% | 93.65% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.38% | 81.11% |
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.
| There are no matching plants. |
| PubChem | 52917994 |
| LOTUS | LTS0134638 |
| wikiData | Q77380072 |