1-[2-(Furan-2-yl)ethyl]-1H-pyrrole
| Internal ID | 328df82b-dcfc-41de-a4ba-9b7daaa965e3 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles |
| IUPAC Name | 1-[2-(furan-2-yl)ethyl]pyrrole |
| SMILES (Canonical) | C1=CN(C=C1)CCC2=CC=CO2 |
| SMILES (Isomeric) | C1=CN(C=C1)CCC2=CC=CO2 |
| InChI | InChI=1S/C10H11NO/c1-2-7-11(6-1)8-5-10-4-3-9-12-10/h1-4,6-7,9H,5,8H2 |
| InChI Key | BIGBGRCBSUCSLZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.20 g/mol |
| Exact Mass | 161.084063974 g/mol |
| Topological Polar Surface Area (TPSA) | 18.10 Ų |
| XlogP | 1.70 |
| 1-[2-(Furan-2-yl)ethyl]-1H-pyrrole |
| DTXSID90734226 |
| N-(2'-furfuryl-5'-methyl) pyrrole |
| AKOS010731545 |
![2D Structure of 1-[2-(Furan-2-yl)ethyl]-1H-pyrrole](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-furan-2-ylethyl-1h-pyrrole.jpg "2D Structure of 1-[2-(Furan-2-yl)ethyl]-1H-pyrrole")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.20% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.94% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.28% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.42% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.76% | 94.00% |
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.
| Coffea arabica |
| PubChem | 61470653 |
| LOTUS | LTS0151886 |
| wikiData | Q82677920 |