(15R,19R,20S)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8-pentaen-14-one
| Internal ID | 5bd09f5d-4b34-43d3-9373-97e2a99290c3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (15R,19R,20S)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8-pentaen-14-one |
| SMILES (Canonical) | C1CC2C(C(C1)O)N=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| SMILES (Isomeric) | C1C[C@@H]2[C@@H]([C@@H](C1)O)N=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| InChI | InChI=1S/C18H19N3O2/c22-14-7-3-5-12-15(14)20-17-16-11(8-9-21(17)18(12)23)10-4-1-2-6-13(10)19-16/h1-2,4,6,12,14-15,19,22H,3,5,7-9H2/t12-,14-,15+/m1/s1 |
| InChI Key | OTTKNTKQOGNJAK-YUELXQCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19N3O2 |
| Molecular Weight | 309.40 g/mol |
| Exact Mass | 309.147726857 g/mol |
| Topological Polar Surface Area (TPSA) | 68.70 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (15R,19R,20S)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8-pentaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/09b72af0-84f4-11ee-8f87-c37975dbacf5.jpg "2D Structure of (15R,19R,20S)-19-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8-pentaen-14-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.47% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.67% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.27% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.12% | 88.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.58% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.97% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.95% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.23% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.75% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.13% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.80% | 85.14% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 86.91% | 98.46% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.68% | 98.75% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.73% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.70% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.60% | 94.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.42% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.29% | 93.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.22% | 96.39% |
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.
| Vepris louisii |
| PubChem | 163191227 |
| LOTUS | LTS0127450 |
| wikiData | Q105199824 |