Nauclexine
| Internal ID | 83244e24-c508-4173-b08b-14b94a4ecb4f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | 16-hydroxy-4,14,19-triazatetracyclo[15.3.1.03,11.05,10]henicosa-1(20),3(11),5,7,9,17(21),18-heptaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H17N3O2/c22-16-10-19-6-5-14-13-3-1-2-4-15(13)21-17(14)18(23)12-7-11(16)8-20-9-12/h1-4,7-9,16,19,21-22H,5-6,10H2 |
| InChI Key | VHXXSFCTDCAIPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17N3O2 |
| Molecular Weight | 307.30 g/mol |
| Exact Mass | 307.132076794 g/mol |
| Topological Polar Surface Area (TPSA) | 78.00 Ų |
| XlogP | 1.50 |
| VHXXSFCTDCAIPR-UHFFFAOYSA-N |
| 11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy- |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.53% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.11% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.34% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.22% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.87% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.09% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.10% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.92% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.91% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.72% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.22% | 85.14% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 84.57% | 85.00% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 84.54% | 97.03% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.42% | 81.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.04% | 88.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.47% | 96.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.15% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.13% | 94.23% |
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 diderrichii |
| PubChem | 608079 |
| LOTUS | LTS0021923 |
| wikiData | Q105286684 |