3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
| Internal ID | bc664ffc-2a7b-453b-aa46-af58dcc7741b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide |
| SMILES (Canonical) | COC1=CC2=C(C=C1)NC=C2CCNC(=O)C=CC3=CC=C(C=C3)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)NC=C2CCNC(=O)C=CC3=CC=C(C=C3)O |
| InChI | InChI=1S/C20H20N2O3/c1-25-17-7-8-19-18(12-17)15(13-22-19)10-11-21-20(24)9-4-14-2-5-16(23)6-3-14/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24) |
| InChI Key | DAYQHEUNAQSDHV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 74.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxyphenyl-n-2-5-methoxy-1h-indol-3-ylethylprop-2-enamide.jpg "2D Structure of 3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]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 | 99.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 95.28% | 89.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.54% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.87% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.40% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.26% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.04% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.07% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.99% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.20% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.61% | 89.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.97% | 94.00% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.82% | 97.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.72% | 97.09% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.07% | 89.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.14% | 89.44% |
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.
| Centaurea cyanus |
| PubChem | 20979893 |
| LOTUS | LTS0144272 |
| wikiData | Q104974133 |