13-(1,3-Benzodioxol-5-yl)-1-pyrrolidin-1-yltrideca-2,4,12-trien-1-one
| Internal ID | 16888acc-d0f2-479a-8e42-8877ad1bfe56 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 13-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yltrideca-2,4,12-trien-1-one |
| SMILES (Canonical) | C1CCN(C1)C(=O)C=CC=CCCCCCCC=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(C1)C(=O)C=CC=CCCCCCCC=CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C24H31NO3/c26-24(25-17-11-12-18-25)14-10-8-6-4-2-1-3-5-7-9-13-21-15-16-22-23(19-21)28-20-27-22/h6,8-10,13-16,19H,1-5,7,11-12,17-18,20H2 |
| InChI Key | CLVADUMCAXEPEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H31NO3 |
| Molecular Weight | 381.50 g/mol |
| Exact Mass | 381.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 6.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.66% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.26% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.83% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.92% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.90% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.08% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.51% | 91.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.70% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.06% | 90.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.71% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.10% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.82% | 96.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.62% | 89.62% |
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 mullesua |
| Piper nigrum |
| PubChem | 162899171 |
| LOTUS | LTS0041655 |
| wikiData | Q104963987 |