(1R,2S,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
| Internal ID | 9e39fcaa-2648-41e2-b2a1-196ee1ac8b3c |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | (1R,2S,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one |
| SMILES (Canonical) | C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | C1CCN2[C@@H](C1)[C@@]34C[C@H]2C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13-/m1/s1 |
| InChI Key | SWZMSZQQJRKFBP-NTZNESFSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.26 g/mol |
| Exact Mass | 217.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,2S,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s8s-14-oxa-7-azatetracyclo6610111027pentadeca-911-dien-13-one.jpg "2D Structure of (1R,2S,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]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 |
|---|---|---|---|---|---|
| CHEMBL5514 | P42858 | Huntingtin |
794.3 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 94.63% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.45% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.79% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.76% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.29% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.53% | 94.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.02% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.13% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.82% | 95.89% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.90% | 80.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.70% | 99.23% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.28% | 91.76% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.66% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.99% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.70% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.28% | 100.00% |
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.
| Breynia coronata |
| Flueggea virosa |
| PubChem | 6954840 |
| LOTUS | LTS0248505 |
| wikiData | Q104401960 |