N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
| Internal ID | 476b3575-86bc-4e37-b676-0e259ae2a5e8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23) |
| InChI Key | VJSCHQMOTSXAKB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.30 g/mol |
| Exact Mass | 329.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 99.00 Ų |
| XlogP | 1.80 |
| B0005-464761 |
![2D Structure of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-hydroxy-2-4-hydroxyphenylethyl-3-4-hydroxy-3-methoxyphenylprop-2-enamide.jpg "2D Structure of N-[2-hydroxy-2-(4-hydroxyphenyl)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 | 99.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.54% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.59% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.53% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.27% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.89% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.81% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.90% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 88.15% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.84% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.64% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.02% | 94.73% |
| CHEMBL210 | P07550 | Beta-2 adrenergic receptor | 81.63% | 96.90% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.39% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.32% | 90.71% |
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.
| Antidesma membranaceum |
| Antidesma montanum var. montanum |
| Capsicum annuum |
| Lycium chinense |
| Mesembryanthemum cordifolium |
| Salsola collina |
| Solanum melongena |
| PubChem | 74178121 |
| LOTUS | LTS0031332 |
| wikiData | Q105287482 |