(2E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
| Internal ID | 10955fb6-ecd8-46c8-b3e9-efbf614e65a3 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide |
| SMILES (Canonical) | C1CCC(C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCC(C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+ |
| InChI Key | SLFOTQIGIXJPPD-SOFGYWHQSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.30 g/mol |
| Exact Mass | 259.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 3.10 |
| MLS001185453 |
| SCHEMBL13271655 |
| HMS2826E13 |
| BDBM50401981 |
| STK034382 |
| AKOS002987513 |
| SMR000503032 |
| AB00088786-01 |
| SR-01000212842 |
| SR-01000212842-1 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B |
1130 nM |
IC50 |
PMID: 23819826
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.74% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.74% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.14% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.60% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.78% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 86.25% | 81.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.12% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.84% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.83% | 100.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.36% | 80.96% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.31% | 85.30% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.88% | 90.71% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.29% | 89.33% |
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 | 871734 |
| NPASS | NPC469977 |
| ChEMBL | CHEMBL1575961 |
| LOTUS | LTS0164208 |
| wikiData | Q105255288 |