(1S,2R,5S,6S,7R,9S)-5,12-dimethyl-10-oxo-4-oxa-12-azatricyclo[7.2.1.02,7]dodecane-6-carbaldehyde
| Internal ID | fed51683-c766-4c1e-aeaa-ae084a0d4df2 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (1S,2R,5S,6S,7R,9S)-5,12-dimethyl-10-oxo-4-oxa-12-azatricyclo[7.2.1.02,7]dodecane-6-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H19NO3/c1-7-9(5-15)8-3-12-13(16)4-11(14(12)2)10(8)6-17-7/h5,7-12H,3-4,6H2,1-2H3/t7-,8-,9+,10+,11-,12-/m0/s1 |
| InChI Key | VIESTQXHWCAMGP-URIQBSJHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.29 g/mol |
| Exact Mass | 237.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5S,6S,7R,9S)-5,12-dimethyl-10-oxo-4-oxa-12-azatricyclo[7.2.1.02,7]dodecane-6-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r5s6s7r9s-512-dimethyl-10-oxo-4-oxa-12-azatricyclo721027dodecane-6-carbaldehyde.jpg "2D Structure of (1S,2R,5S,6S,7R,9S)-5,12-dimethyl-10-oxo-4-oxa-12-azatricyclo[7.2.1.02,7]dodecane-6-carbaldehyde")
| 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 | 93.22% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.05% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.83% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.90% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.12% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.87% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.87% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.90% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.77% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.09% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.62% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.53% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.46% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.10% | 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.
| Alstonia macrophylla |
| PubChem | 162923977 |
| LOTUS | LTS0166433 |
| wikiData | Q105286800 |