(8R,15S,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
| Internal ID | e638b137-99e6-406d-8d52-c1a6820b1308 |
| Taxonomy | Alkaloids and derivatives > Rhazinilam alkaloids |
| IUPAC Name | (8R,15S,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione |
| SMILES (Canonical) | CCC12CCCN3C14C(CC3=O)C5=CC=CC=C5N4C(=O)CC2 |
| SMILES (Isomeric) | CC[C@@]12CCCN3[C@@]14[C@H](CC3=O)C5=CC=CC=C5N4C(=O)CC2 |
| InChI | InChI=1S/C19H22N2O2/c1-2-18-9-5-11-20-17(23)12-14-13-6-3-4-7-15(13)21(19(14,18)20)16(22)8-10-18/h3-4,6-7,14H,2,5,8-12H2,1H3/t14-,18+,19-/m1/s1 |
| InChI Key | RNBQHSCFWXNVOE-MDASCCDHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (8R,15S,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8r15s19r-15-ethyl-111-diazapentacyclo971027081901519nonadeca-246-triene-1018-dione.jpg "2D Structure of (8R,15S,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.32% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.83% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.20% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.22% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.04% | 86.33% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.41% | 90.24% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.41% | 95.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.26% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.09% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.42% | 83.82% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.17% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.68% | 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.
| Kopsia dasyrachis |
| Kopsia griffithii |
| PubChem | 154496893 |
| LOTUS | LTS0142370 |
| wikiData | Q105241219 |