3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
| Internal ID | 7ac0aeb1-d848-4782-9044-07fdeb0ed48b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O |
| InChI | InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22) |
| InChI Key | VSHUQLRHTJOKTA-UHFFFAOYSA-N |
| Popularity | 18 references in papers |
| Molecular Formula | C17H17NO4 |
| Molecular Weight | 299.32 g/mol |
| Exact Mass | 299.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 2.40 |
| DTXSID70711131 |
| HMS3604I15 |
| 3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]PROP-2-ENAMIDE |
![2D Structure of 3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenyl-n-2-4-hydroxyphenylethylprop-2-enamide.jpg "2D Structure of 3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)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 | 99.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.99% | 98.95% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 93.31% | 89.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.23% | 99.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 90.58% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.11% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.60% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.52% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.09% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.95% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 84.53% | 97.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.43% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.28% | 95.50% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.71% | 85.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.44% | 99.35% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.40% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.33% | 98.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.11% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.27% | 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.
| Annona cherimola |
| Annona montana |
| Cannabis sativa |
| Ceratostigma willmottianum |
| Crinum asiaticum |
| Limonium sinense |
| Mitrephora tomentosa |
| Piper umbellatum |
| Tetragonia tetragonoides |
| Xylopia aethiopica |
| PubChem | 54408305 |
| LOTUS | LTS0204950 |
| wikiData | Q82646657 |