(15S,17S,19R)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
| Internal ID | f8943da8-ce43-46cc-ba00-bfeb73bf8a76 |
| Taxonomy | Alkaloids and derivatives > Eburnan-type alkaloids |
| IUPAC Name | (15S,17S,19R)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol |
| SMILES (Canonical) | C1CC2(CC(N3C4=CC=CC=C4C5=C3C2N(C1)CC5)O)CCO |
| SMILES (Isomeric) | C1C[C@@]2(C[C@@H](N3C4=CC=CC=C4C5=C3[C@@H]2N(C1)CC5)O)CCO |
| InChI | InChI=1S/C19H24N2O2/c22-11-8-19-7-3-9-20-10-6-14-13-4-1-2-5-15(13)21(16(23)12-19)17(14)18(19)20/h1-2,4-5,16,18,22-23H,3,6-12H2/t16-,18-,19-/m0/s1 |
| InChI Key | BEOISZGDGSWYCY-WDSOQIARSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24N2O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 48.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (15S,17S,19R)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol](https://plantaedb.com/storage/docs/compounds/2023/11/a433efc0-8493-11ee-863b-9f6b6af5c07e.jpg "2D Structure of (15S,17S,19R)-15-(2-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 93.11% | 89.76% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 92.83% | 95.83% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.37% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.72% | 97.25% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.70% | 98.46% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.14% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.40% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.19% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.01% | 91.71% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.31% | 89.44% |
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 larutensis |
| PubChem | 162987794 |
| LOTUS | LTS0034639 |
| wikiData | Q104933272 |