(13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one
| Internal ID | 9a754ea0-49f9-4d4c-bb52-14fab6962b69 |
| Taxonomy | Alkaloids and derivatives > Quebrachamine alkaloids |
| IUPAC Name | (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one |
| SMILES (Canonical) | CCC12CCCN(C1=O)CCC3=C(C(C2)O)NC4=CC=CC=C34 |
| SMILES (Isomeric) | CC[C@]12CCCN(C1=O)CCC3=C([C@H](C2)O)NC4=CC=CC=C34 |
| InChI | InChI=1S/C19H24N2O2/c1-2-19-9-5-10-21(18(19)23)11-8-14-13-6-3-4-7-15(13)20-17(14)16(22)12-19/h3-4,6-7,16,20,22H,2,5,8-12H2,1H3/t16-,19+/m0/s1 |
| InChI Key | HIUHFJGIFLYTMT-QFBILLFUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24N2O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 56.30 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-one](https://plantaedb.com/storage/docs/compounds/2023/11/3cf75190-8530-11ee-a388-d9695be42f3d.jpg "2D Structure of (13S,15R)-15-ethyl-13-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-19-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.16% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.39% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.46% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.91% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.73% | 90.08% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.01% | 92.98% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.57% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.36% | 88.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.62% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.88% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.48% | 91.71% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.97% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.99% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 82.20% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.38% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.35% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.29% | 93.40% |
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 arborea |
| PubChem | 46848462 |
| LOTUS | LTS0180141 |
| wikiData | Q105029031 |