4,5,12-Trimethyl-12-oxido-6-oxa-12-azoniatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
| Internal ID | 370a69dd-e811-4ac0-8603-6f4f935f22fa |
| Taxonomy | Organoheterocyclic compounds > Cycloheptapyrans |
| IUPAC Name | 4,5,12-trimethyl-12-oxido-6-oxa-12-azoniatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H17NO3/c1-7-8(2)17-11-6-9-4-5-10(14(9,3)16)12(11)13(7)15/h9-10H,4-6H2,1-3H3 |
| InChI Key | OYQKLYCRWTWWGW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.28 g/mol |
| Exact Mass | 235.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 44.40 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 4,5,12-Trimethyl-12-oxido-6-oxa-12-azoniatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/4512-trimethyl-12-oxido-6-oxa-12-azoniatricyclo721027dodeca-274-dien-3-one.jpg "2D Structure of 4,5,12-Trimethyl-12-oxido-6-oxa-12-azoniatricyclo[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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.81% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.05% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.71% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.95% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.00% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.31% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.38% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.94% | 93.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.93% | 86.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.60% | 94.80% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.01% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.00% | 94.75% |
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.
| Darlingia darlingiana |
| Salvia texana |
| PubChem | 101037026 |
| LOTUS | LTS0125751 |
| wikiData | Q105370524 |