[(1R,2S,4aR,8aS)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone
| Internal ID | 77d71c8b-1377-44d9-ab80-1fbcbbe7b3a8 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(1R,2S,4aR,8aS)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C3CCCCC3C=CC2C4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)[C@@H]2[C@H]3CCCC[C@@H]3C=C[C@@H]2C4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C23H29NO3/c25-23(24-12-4-1-5-13-24)22-18-7-3-2-6-16(18)8-10-19(22)17-9-11-20-21(14-17)27-15-26-20/h8-11,14,16,18-19,22H,1-7,12-13,15H2/t16-,18+,19-,22-/m1/s1 |
| InChI Key | XILCCXRIHYUMKY-ITBLURSFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H29NO3 |
| Molecular Weight | 367.50 g/mol |
| Exact Mass | 367.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4aR,8aS)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/e15f8080-86a0-11ee-b35b-f7a508666199.jpg "2D Structure of [(1R,2S,4aR,8aS)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.48% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.23% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.13% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.05% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.96% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.98% | 96.77% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.83% | 90.24% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.48% | 94.78% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.29% | 89.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.23% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.25% | 94.80% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.73% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.21% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.65% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.80% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.69% | 95.56% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.33% | 96.25% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 81.27% | 92.17% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.81% | 80.71% |
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.
| Piper guineense |
| PubChem | 11035962 |
| LOTUS | LTS0216318 |
| wikiData | Q105328561 |