N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
| Internal ID | 849d754c-7620-4b22-a81e-8800aa1ccbe4 |
| 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-hydroxy-3-methoxyphenyl)prop-2-enamide |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O |
| InChI | InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25) |
| InChI Key | WGHKJYWENWLOMY-UHFFFAOYSA-N |
| Popularity | 28 references in papers |
| Molecular Formula | C20H20N2O4 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 94.60 Ų |
| XlogP | 3.00 |
| AKOS030254776 |
| FT-0668521 |
![2D Structure of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-5-hydroxy-1h-indol-3-ylethyl-3-4-hydroxy-3-methoxyphenylprop-2-enamide.jpg "2D Structure of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)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 | 99.81% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 97.17% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.01% | 95.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.82% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.04% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.97% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.52% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.15% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.11% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.59% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.20% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.14% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.24% | 98.59% |
| CHEMBL3194 | P02766 | Transthyretin | 87.76% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.59% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.46% | 90.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.98% | 85.31% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.86% | 97.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.74% | 94.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.67% | 95.56% |
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.
| Carthamus tinctorius |
| Centaurea arenaria |
| Centaurea cyanus |
| Centaurea nigra |
| PubChem | 340062 |
| LOTUS | LTS0081491 |
| wikiData | Q105304500 |