4-Ethenyl-3-ethoxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one
| Internal ID | ec382f5b-0d80-4b4c-aac2-be3261f373ca |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Piperidinones |
| IUPAC Name | 4-ethenyl-3-ethoxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one |
| SMILES (Canonical) | CCOC1C(C2CCNC(=O)C2=CO1)C=C |
| SMILES (Isomeric) | CCOC1C(C2CCNC(=O)C2=CO1)C=C |
| InChI | InChI=1S/C12H17NO3/c1-3-8-9-5-6-13-11(14)10(9)7-16-12(8)15-4-2/h3,7-9,12H,1,4-6H2,2H3,(H,13,14) |
| InChI Key | SRLGFJSPXVLEEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.27 g/mol |
| Exact Mass | 223.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-Ethenyl-3-ethoxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-ethenyl-3-ethoxy-344a567-hexahydropyrano34-cpyridin-8-one.jpg "2D Structure of 4-Ethenyl-3-ethoxy-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-8-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.39% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.36% | 97.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.61% | 98.59% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 86.83% | 88.84% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.63% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.20% | 94.73% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.07% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.95% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.28% | 89.34% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.18% | 96.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.13% | 94.80% |
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.
| Schenkia spicata |
| PubChem | 162915667 |
| LOTUS | LTS0195804 |
| wikiData | Q105259260 |