2-Hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.03,7]pentadeca-9,11-dien-13-one
| Internal ID | 553445d7-689f-4dcb-a231-6b0cd234b932 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | 2-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.03,7]pentadeca-9,11-dien-13-one |
| SMILES (Canonical) | C1CC2C(C34CC(N2C1)C=CC3=CC(=O)O4)O |
| SMILES (Isomeric) | C1CC2C(C34CC(N2C1)C=CC3=CC(=O)O4)O |
| InChI | InChI=1S/C13H15NO3/c15-11-6-8-3-4-9-7-13(8,17-11)12(16)10-2-1-5-14(9)10/h3-4,6,9-10,12,16H,1-2,5,7H2 |
| InChI Key | XPKARYMXHARJFK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26 g/mol |
| Exact Mass | 233.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.03,7]pentadeca-9,11-dien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-14-oxa-7-azatetracyclo6610111037pentadeca-911-dien-13-one.jpg "2D Structure of 2-Hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.03,7]pentadeca-9,11-dien-13-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.81% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.16% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.03% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.95% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.85% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.74% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.65% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.50% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.89% | 86.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.97% | 94.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.95% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.92% | 100.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.64% | 98.46% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.50% | 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.
| Flueggea suffruticosa |
| PubChem | 24857890 |
| LOTUS | LTS0210392 |
| wikiData | Q105338538 |