(1S,9R)-4,12-dimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
| Internal ID | 570ce0a1-3810-42cb-b176-2bc1c4450790 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptapyrans |
| IUPAC Name | (1S,9R)-4,12-dimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H15NO2/c1-7-6-15-10-5-8-3-4-9(13(8)2)11(10)12(7)14/h6,8-9H,3-5H2,1-2H3/t8-,9+/m1/s1 |
| InChI Key | ODQUOOUDMCGJCX-BDAKNGLRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.25 g/mol |
| Exact Mass | 205.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (1S,9R)-4,12-dimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r-412-dimethyl-6-oxa-12-azatricyclo721027dodeca-274-dien-3-one.jpg "2D Structure of (1S,9R)-4,12-dimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.87% | 93.65% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 89.27% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.48% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.93% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.44% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.34% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.65% | 86.00% |
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.
| Bellendena montana |
| PubChem | 162912194 |
| LOTUS | LTS0123656 |
| wikiData | Q105189977 |