Naucleofficine E
| Internal ID | 4f52897c-288c-4aec-8102-7fd58b444d5c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 7-hydroxy-19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17N3O3/c1-10(24)15-8-21-9-16-13(15)7-18-19-12(4-5-23(18)20(16)26)14-6-11(25)2-3-17(14)22-19/h2-3,6-10,22,24-25H,4-5H2,1H3 |
| InChI Key | PUVMSXKEPGXEHQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H17N3O3 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.12699141 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 1.40 |
| CHEMBL1173138 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.80% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.69% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.10% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.85% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.76% | 90.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.12% | 93.10% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.57% | 88.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.39% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.22% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.00% | 89.00% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 89.21% | 99.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.58% | 99.23% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.90% | 97.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.51% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.23% | 95.89% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.95% | 85.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.44% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.02% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.24% | 93.65% |
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.
| Nauclea officinalis |
| PubChem | 24861912 |
| LOTUS | LTS0212234 |
| wikiData | Q105215306 |