N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
| Internal ID | 115a30a4-1772-4a2a-b9ed-6731a5e154d5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Tryptamines and derivatives > Serotonins > N-acylserotonins |
| IUPAC Name | N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O |
| InChI | InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24) |
| InChI Key | WLZPAFGVOWCVMG-UHFFFAOYSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C19H18N2O3 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.20 |
| n-(p-coumaroyl)serotonin |
| DTXSID901313118 |
| AKOS030242666 |
| FT-0665200 |
![2D Structure of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-5-hydroxy-1h-indol-3-ylethyl-3-4-hydroxyphenylprop-2-enamide.jpg "2D Structure of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.56% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.43% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 93.54% | 89.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.36% | 98.59% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.88% | 95.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.14% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.84% | 89.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.08% | 95.92% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.28% | 83.10% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.99% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.51% | 98.35% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.20% | 98.75% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.35% | 89.67% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.66% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.23% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.94% | 95.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.60% | 97.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.33% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.25% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.61% | 86.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.02% | 89.33% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 81.72% | 95.00% |
| CHEMBL3385 | P27361 | MAP kinase ERK1 | 81.69% | 96.29% |
| CHEMBL3194 | P02766 | Transthyretin | 80.33% | 90.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.31% | 96.39% |
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.
| Amorphophallus konjac |
| Carthamus tinctorius |
| Centaurea nigra |
| Echinochloa esculenta |
| Ipomoea obscura |
| PubChem | 340063 |
| LOTUS | LTS0258118 |
| wikiData | Q105308386 |