3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]prop-2-enamide
| Internal ID | 3d11e447-1c83-46ae-a270-3315e7b14a5a |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]prop-2-enamide |
| SMILES (Canonical) | CC1CC(=O)N(C1=O)CCCCNC(=O)C=CC2=CC=C(C=C2)O |
| SMILES (Isomeric) | CC1CC(=O)N(C1=O)CCCCNC(=O)C=CC2=CC=C(C=C2)O |
| InChI | InChI=1S/C18H22N2O4/c1-13-12-17(23)20(18(13)24)11-3-2-10-19-16(22)9-6-14-4-7-15(21)8-5-14/h4-9,13,21H,2-3,10-12H2,1H3,(H,19,22) |
| InChI Key | PQTXUZSPEDMWPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxyphenyl-n-4-3-methyl-25-dioxopyrrolidin-1-ylbutylprop-2-enamide.jpg "2D Structure of 3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]prop-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.65% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.01% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.25% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.35% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.59% | 99.17% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.26% | 92.12% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.47% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.46% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.49% | 90.93% |
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.
| Lilium regale |
| PubChem | 67843118 |
| LOTUS | LTS0221649 |
| wikiData | Q105213459 |