nauclealine A
| Internal ID | dca4e627-a24c-48e5-a25b-32cd4e796237 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 19-ethenyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),18-heptaene-14,16-dione |
| SMILES (Canonical) | C=CC1=COC(=O)C2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| SMILES (Isomeric) | C=CC1=COC(=O)C2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| InChI | InChI=1S/C20H14N2O3/c1-2-11-10-25-20(24)17-14(11)9-16-18-13(7-8-22(16)19(17)23)12-5-3-4-6-15(12)21-18/h2-6,9-10,21H,1,7-8H2 |
| InChI Key | PFHFCRSABQWBLK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H14N2O3 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 62.40 Ų |
| XlogP | 2.30 |
| InChI=1/C20H14N2O3/c1-2-11-10-25-20(24)17-14(11)9-16-18-13(7-8-22(16)19(17)23)12-5-3-4-6-15(12)21-18/h2-6,9-10,21H,1,7-8H |
| 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 | 98.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.13% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.89% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.10% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.06% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.18% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.61% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.54% | 98.59% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.35% | 92.98% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.13% | 97.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.91% | 96.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 84.21% | 81.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.36% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.91% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.91% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.01% | 98.75% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.89% | 96.90% |
| CHEMBL240 | Q12809 | HERG | 80.58% | 89.76% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.53% | 91.71% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.38% | 96.42% |
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 orientalis |
| PubChem | 5324480 |
| LOTUS | LTS0176746 |
| wikiData | Q105207740 |