[4-(1,3-Benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | f1c57cae-7432-4a4d-a5a3-cbd287c42a98 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [4-(1,3-benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2C=CC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C2C=CC(C(C2C=CC3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C34H38N2O6/c37-33(35-15-3-1-4-16-35)27-12-11-25(24-9-14-29-31(20-24)42-22-40-29)32(34(38)36-17-5-2-6-18-36)26(27)10-7-23-8-13-28-30(19-23)41-21-39-28/h7-14,19-20,25-27,32H,1-6,15-18,21-22H2 |
| InChI Key | VQMWKHMWENQJCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H38N2O6 |
| Molecular Weight | 570.70 g/mol |
| Exact Mass | 570.27298694 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)ethenyl]-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/fc3a4af0-868b-11ee-97c9-89f266bb022c.jpg "2D Structure of [4-(1,3-Benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(piperidine-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 | 92.71% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.69% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.55% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.15% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.96% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.57% | 96.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.04% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.27% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.20% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.07% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.02% | 83.57% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.69% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.19% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.13% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.73% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.58% | 95.89% |
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 | 72813563 |
| LOTUS | LTS0167560 |
| wikiData | Q105291385 |