6-O-ethyl 3-O-methyl 7a-ethenyl-3-(1H-indol-2-yl)-3a,4,5,7-tetrahydro-2H-furo[2,3-c]pyridine-3,6-dicarboxylate
| Internal ID | dfa04727-7f34-476c-ab6e-d9dca707c364 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 6-O-ethyl 3-O-methyl 7a-ethenyl-3-(1H-indol-2-yl)-3a,4,5,7-tetrahydro-2H-furo[2,3-c]pyridine-3,6-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26N2O5/c1-4-21-13-24(20(26)28-5-2)11-10-17(21)22(14-29-21,19(25)27-3)18-12-15-8-6-7-9-16(15)23-18/h4,6-9,12,17,23H,1,5,10-11,13-14H2,2-3H3 |
| InChI Key | XMPQHDBGVZIIJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26N2O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 6-O-ethyl 3-O-methyl 7a-ethenyl-3-(1H-indol-2-yl)-3a,4,5,7-tetrahydro-2H-furo[2,3-c]pyridine-3,6-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ec53cec0-85f9-11ee-b633-112854c02d2c.jpg "2D Structure of 6-O-ethyl 3-O-methyl 7a-ethenyl-3-(1H-indol-2-yl)-3a,4,5,7-tetrahydro-2H-furo[2,3-c]pyridine-3,6-dicarboxylate")
| 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 | 98.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 92.70% | 97.50% |
| CHEMBL240 | Q12809 | HERG | 91.08% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.99% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.81% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.47% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.78% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.96% | 92.62% |
| CHEMBL2047 | Q96RI1 | Bile acid receptor FXR | 85.49% | 96.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.38% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.74% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.46% | 94.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.39% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.68% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.66% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.29% | 91.19% |
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.
| Alstonia spatulata |
| PubChem | 75576422 |
| LOTUS | LTS0221171 |
| wikiData | Q105331339 |