(4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-one
| Internal ID | 442e9cdb-6acb-45fb-bdae-f33d334c98df |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H22N2O3/c1-2-18-9-14(22)16-19(23,12-5-3-4-6-13(12)20-16)7-8-21(11-18)10-15-17(18)24-15/h3-6,15,17,23H,2,7-11H2,1H3/t15-,17-,18+,19-/m1/s1 |
| InChI Key | VJNPSOJVUIFCNF-OQIJWPOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H22N2O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 65.40 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/39b2a480-8740-11ee-ab6c-e52947200d47.jpg "2D Structure of (4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.37% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.76% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.15% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.66% | 93.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.66% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.92% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.74% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.46% | 93.65% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.85% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.96% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.73% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 81.47% | 97.50% |
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.
| Tabernaemontana divaricata |
| PubChem | 10860385 |
| LOTUS | LTS0074920 |
| wikiData | Q105287392 |