2-(1,3-benzodioxol-5-yl)-6-hept-1-enyl-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
| Internal ID | 152a2e9d-0ce9-4688-b453-f51e7fbb193e |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-6-hept-1-enyl-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide |
| SMILES (Canonical) | CCCCCC=CC1C(C=CC(C1C(=O)NCC(C)C)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4 |
| SMILES (Isomeric) | CCCCCC=CC1C(C=CC(C1C(=O)NCC(C)C)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4 |
| InChI | InChI=1S/C31H44N2O4/c1-4-5-6-7-9-12-25-26(31(35)33-17-10-8-11-18-33)15-14-24(29(25)30(34)32-20-22(2)3)23-13-16-27-28(19-23)37-21-36-27/h9,12-16,19,22,24-26,29H,4-8,10-11,17-18,20-21H2,1-3H3,(H,32,34) |
| InChI Key | IQEDQEFKHVXVLW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44N2O4 |
| Molecular Weight | 508.70 g/mol |
| Exact Mass | 508.33010789 g/mol |
| Topological Polar Surface Area (TPSA) | 67.90 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
| 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 | 99.59% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.57% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.51% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.57% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.27% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.46% | 91.11% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 91.43% | 96.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.35% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.77% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.97% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.26% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.76% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.22% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.88% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.82% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.90% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 85.50% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.47% | 98.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.16% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.69% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.04% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.39% | 89.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.15% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.94% | 94.80% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.10% | 97.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.77% | 95.89% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.48% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.48% | 97.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.26% | 95.83% |
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 | 72778320 |
| LOTUS | LTS0042643 |
| wikiData | Q105117749 |