(1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
| Internal ID | e7f3769b-5db3-45a0-8932-93e2ddda0dc3 |
| Taxonomy | Organoheterocyclic compounds > Oxazinanes > 1,2-oxazinanes |
| IUPAC Name | (1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one |
| SMILES (Canonical) | C1CCN2C(C1)C34CC(O2)C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | C1CCN2[C@H](C1)[C@@]34C[C@@H](O2)C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C13H15NO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(11)17-10/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13+/m0/s1 |
| InChI Key | CTFXYMMZXWWOFY-DMDPSCGWSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26 g/mol |
| Exact Mass | 233.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r9r-815-dioxa-7-azatetracyclo7610112027hexadeca-1012-dien-14-one.jpg "2D Structure of (1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-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 | 91.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.29% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.21% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.81% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.23% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.78% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.98% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.64% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.92% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.56% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.85% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.54% | 93.40% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.09% | 99.29% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.58% | 91.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.27% | 90.71% |
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 |
| PubChem | 11988586 |
| LOTUS | LTS0140361 |
| wikiData | Q104969771 |