3-[2,4-Bis(1,3-benzodioxol-5-yl)-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
Internal ID | 66219a62-47de-4aad-94bf-c3e7fa33dd8f |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | 3-[2,4-bis(1,3-benzodioxol-5-yl)-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one |
SMILES (Canonical) | C1CCN(CC1)C(=O)C=CC2C(C(C2C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
SMILES (Isomeric) | C1CCN(CC1)C(=O)C=CC2C(C(C2C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
InChI | InChI=1S/C32H36N2O6/c35-28(33-13-3-1-4-14-33)12-9-23-29(21-7-10-24-26(17-21)39-19-37-24)31(32(36)34-15-5-2-6-16-34)30(23)22-8-11-25-27(18-22)40-20-38-25/h7-12,17-18,23,29-31H,1-6,13-16,19-20H2 |
InChI Key | ZQTGNEFTUYHAAU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H36N2O6 |
Molecular Weight | 544.60 g/mol |
Exact Mass | 544.25733687 g/mol |
Topological Polar Surface Area (TPSA) | 77.50 Ų |
XlogP | 4.30 |
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 |
---|---|---|---|---|
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 93.44% | 83.57% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.56% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.03% | 96.09% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 90.37% | 90.24% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.88% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.13% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.77% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.38% | 96.77% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.10% | 93.40% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.01% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.08% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.37% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.06% | 92.62% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.54% | 96.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.16% | 90.00% |
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 | 72959348 |
LOTUS | LTS0237437 |
wikiData | Q105381742 |