[(4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
Internal ID | bce49e44-0815-4985-89db-378757be6fe5 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | [(4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2C(=O)N3CCCCC3)C=CC4=CC5=C(C=C4)OCO5)C6=CC7=C(C=C6)OCO7 |
SMILES (Isomeric) | C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@@H](C=CC2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)/C=C/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)26(32(27)34(38)36-17-5-2-6-18-36)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/b10-7+/t25-,26+,27?,32-/m0/s1 |
InChI Key | ZUHSRZLUGOUPFT-YQAZJISCSA-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 [(4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone 2D Structure of [(4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/89ad4c30-85b9-11ee-8d47-ffbb590eb188.jpg)
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 | 93.64% | 96.09% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.37% | 89.63% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.98% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.11% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.60% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.83% | 96.77% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.46% | 90.24% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.42% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.00% | 94.45% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 85.83% | 92.51% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.29% | 90.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.48% | 90.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.38% | 100.00% |
CHEMBL5028 | O14672 | ADAM10 | 81.58% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.01% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.80% | 92.62% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.58% | 96.25% |
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 retrofractum |
PubChem | 11319094 |
LOTUS | LTS0156793 |
wikiData | Q105383668 |