(15S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
| Internal ID | cf84b4fd-5d4a-4218-824f-927ffd84939b |
| Taxonomy | Alkaloids and derivatives > Eburnan-type alkaloids |
| IUPAC Name | (15S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one |
| SMILES (Canonical) | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2 |
| SMILES (Isomeric) | CC[C@@]12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2 |
| InChI | InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18?,19-/m0/s1 |
| InChI Key | WYJAPUKIYAZSEM-GGYWPGCISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H22N2O |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 25.20 Ų |
| XlogP | 3.00 |
| Oprea1_426493 |
| CHEMBL1733074 |
| SCHEMBL14029339 |
| HMS2234A05 |
| HMS3370H14 |
| HMS3373I04 |
| AKOS024282475 |
| SMR000528935 |
![2D Structure of (15S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/15s-15-ethyl-111-diazapentacyclo962027081801519nonadeca-246818-tetraen-17-one.jpg "2D Structure of (15S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.55% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.36% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.42% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.67% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.56% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.05% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.97% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.88% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.32% | 89.63% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.13% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.10% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.80% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.69% | 95.83% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.37% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.33% | 85.14% |
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.
| Rauvolfia serpentina |
| Viburnum rhytidophyllum |
| PubChem | 2724040 |
| LOTUS | LTS0193506 |
| wikiData | Q104392891 |