2,6-Dimethylquinoline
| Internal ID | f988fd73-5655-44e3-a449-d459ea9d82f0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 2,6-dimethylquinoline |
| SMILES (Canonical) | CC1=CC2=C(C=C1)N=C(C=C2)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1)N=C(C=C2)C |
| InChI | InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3 |
| InChI Key | JJPSZKIOGBRMHK-UHFFFAOYSA-N |
| Popularity | 79 references in papers |
| Molecular Formula | C11H11N |
| Molecular Weight | 157.21 g/mol |
| Exact Mass | 157.089149355 g/mol |
| Topological Polar Surface Area (TPSA) | 12.90 Ų |
| XlogP | 3.00 |
| 877-43-0 |
| 6-Methylquinaldine |
| Quinoline, 2,6-dimethyl- |
| p-Toluquinaldine |
| 2,6-Dimethyl-quinoline |
| UNII-KST0M1T4MB |
| MFCD00006762 |
| KST0M1T4MB |
| CHEMBL194502 |
| NSC 1782 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
3300 nM |
IC50 |
PMID: 15916432
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.88% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.86% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.30% | 92.51% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.17% | 85.49% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.45% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.68% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.63% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.28% | 93.65% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.19% | 97.36% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.43% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.38% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.33% | 96.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 82.16% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.00% | 85.30% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.36% | 81.11% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 80.34% | 82.50% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.14% | 96.42% |
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.
| Angelica decursiva |
| Kitagawia praeruptora |
| PubChem | 13414 |
| NPASS | NPC215519 |
| ChEMBL | CHEMBL194502 |