2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline
| Internal ID | a215ebfb-50bb-4630-b77a-e8111cde92a1 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)CCC3=NC4=CC=CC=C4C=C3 |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)CCC3=NC4=CC=CC=C4C=C3 |
| InChI | InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2 |
| InChI Key | ZDRLPWFUZOCXJT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H15NO2 |
| Molecular Weight | 277.30 g/mol |
| Exact Mass | 277.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 31.40 Ų |
| XlogP | 4.30 |
| Quinoline, 2-[2-(1,3-benzodioxol-5-yl)ethyl]- |
| SCHEMBL951425 |
| CHEMBL174146 |
| DTXSID90435423 |
| ZDRLPWFUZOCXJT-UHFFFAOYSA-N |
| 2-(3,4-Methylenedioxyphenylethyl)Quinoleine |
![2D Structure of 2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline](https://plantaedb.com/storage/docs/compounds/2023/11/quinoline-2-2-13-benzodioxol-5-ylethyl-.jpg "2D Structure of 2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline")
| 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 | 98.49% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 93.65% | 89.44% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.58% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.02% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 92.77% | 96.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.88% | 98.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 89.26% | 85.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.60% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.59% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.75% | 80.96% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.56% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.39% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.24% | 92.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.67% | 96.39% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.39% | 91.43% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.02% | 95.50% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.09% | 89.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.86% | 93.40% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.58% | 93.81% |
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.
| Angostura bracteata |
| Angostura longiflora |
| Angostura trifoliata |
| PubChem | 10084876 |
| LOTUS | LTS0189740 |
| wikiData | Q82250348 |