2-[6-(1,3-Benzodioxol-5-yl)hexyl]-4-methoxyquinoline
| Internal ID | fac8071a-03e4-46f4-8d7f-577007268248 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 2-[6-(1,3-benzodioxol-5-yl)hexyl]-4-methoxyquinoline |
| SMILES (Canonical) | COC1=CC(=NC2=CC=CC=C21)CCCCCCC3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | COC1=CC(=NC2=CC=CC=C21)CCCCCCC3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C23H25NO3/c1-25-22-15-18(24-20-11-7-6-10-19(20)22)9-5-3-2-4-8-17-12-13-21-23(14-17)27-16-26-21/h6-7,10-15H,2-5,8-9,16H2,1H3 |
| InChI Key | XJXAZXGARODQBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO3 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 2-[6-(1,3-Benzodioxol-5-yl)hexyl]-4-methoxyquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/2-6-13-benzodioxol-5-ylhexyl-4-methoxyquinoline.jpg "2D Structure of 2-[6-(1,3-Benzodioxol-5-yl)hexyl]-4-methoxyquinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.90% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.27% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.16% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 94.89% | 96.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.48% | 92.62% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 92.35% | 89.44% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.63% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.31% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.74% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.34% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.32% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.92% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.51% | 93.99% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.31% | 94.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.56% | 94.80% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 85.84% | 87.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.84% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.94% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.67% | 94.73% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 82.00% | 91.43% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.70% | 80.96% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.01% | 95.17% |
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.
| Ruta chalepensis |
| PubChem | 9998809 |
| LOTUS | LTS0091029 |
| wikiData | Q105329281 |