4-(9-ethoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)-2H-furan-5-one
| Internal ID | 0b697d6c-9d3f-4a38-b63b-07c9669d9e0c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 4-(9-ethoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)-2H-furan-5-one |
| SMILES (Canonical) | CCOC1CC(CC2C3=C(CCN2C)C4=CC=CC=C4N13)C5=CCOC5=O |
| SMILES (Isomeric) | CCOC1CC(CC2C3=C(CCN2C)C4=CC=CC=C4N13)C5=CCOC5=O |
| InChI | InChI=1S/C22H26N2O3/c1-3-26-20-13-14(15-9-11-27-22(15)25)12-19-21-17(8-10-23(19)2)16-6-4-5-7-18(16)24(20)21/h4-7,9,14,19-20H,3,8,10-13H2,1-2H3 |
| InChI Key | HUPABXKIDWFUOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.50 g/mol |
| Exact Mass | 366.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4-(9-ethoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/8786bf60-854c-11ee-9224-b9c22c9c6445.jpg "2D Structure of 4-(9-ethoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)-2H-furan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.42% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.21% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.18% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.47% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.49% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.41% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.00% | 93.65% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.90% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.63% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.62% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
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.
| Strychnos johnsonii |
| PubChem | 13892216 |
| LOTUS | LTS0221301 |
| wikiData | Q105033953 |