3-[2,4-Bis(1,3-benzodioxol-5-yl)-3-(3-oxo-3-piperidin-1-ylprop-1-enyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
Internal ID | f465bcec-b0ee-4b2b-90c2-88eec96a9af7 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | 3-[2,4-bis(1,3-benzodioxol-5-yl)-3-(3-oxo-3-piperidin-1-ylprop-1-enyl)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=CC(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
SMILES (Isomeric) | C1CCN(CC1)C(=O)C=CC2C(C(C2C3=CC4=C(C=C3)OCO4)C=CC(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
InChI | InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)13-9-25-33(23-7-11-27-29(19-23)41-21-39-27)26(10-14-32(38)36-17-5-2-6-18-36)34(25)24-8-12-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,33-34H,1-6,15-18,21-22H2 |
InChI Key | WXSSVJXPONXCFP-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 | 4.80 |
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+] | 96.46% | 83.57% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.24% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.62% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.50% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.47% | 96.09% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 91.09% | 90.24% |
CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.13% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.20% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.35% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.31% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.67% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.58% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.82% | 92.62% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.34% | 93.40% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.57% | 85.14% |
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 | 85117276 |
LOTUS | LTS0088515 |
wikiData | Q105314902 |