[4-(1,3-Benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | ecc8d240-b84b-476a-aed1-cd814a49d2e2 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [4-(1,3-benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2CCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCC5)C6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C2C=CC(C(C2CCC3=CC4=C(C=C3)OCO4)C(=O)N5CCCC5)C6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C33H38N2O6/c36-32(34-14-2-1-3-15-34)26-11-10-24(23-8-13-28-30(19-23)41-21-39-28)31(33(37)35-16-4-5-17-35)25(26)9-6-22-7-12-27-29(18-22)40-20-38-27/h7-8,10-13,18-19,24-26,31H,1-6,9,14-17,20-21H2 |
| InChI Key | CFMGHURNJYGOCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H38N2O6 |
| Molecular Weight | 558.70 g/mol |
| Exact Mass | 558.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [4-(1,3-Benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/322c8ec0-810d-11ee-ab48-5f7eee777064.jpg "2D Structure of [4-(1,3-Benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-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 | 97.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.32% | 96.77% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.11% | 83.57% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 89.67% | 96.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.20% | 96.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.60% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.96% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.73% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 85.21% | 92.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.54% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.51% | 97.25% |
| CHEMBL3691 | Q13822 | Autotaxin | 83.67% | 96.39% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 83.24% | 87.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.48% | 95.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.99% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.77% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.35% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.29% | 93.40% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.01% | 98.46% |
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 nigrum |
| PubChem | 73100953 |
| LOTUS | LTS0172168 |
| wikiData | Q104956731 |