N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
| Internal ID | 98a2a3cf-46d5-4abd-ab7c-fc4451f691be |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22) |
| InChI Key | VATOSFCFMOPAHX-UHFFFAOYSA-N |
| Popularity | 0 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 | 1.80 |
| B2703-458164 |
![2D Structure of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-hydroxy-2-4-hydroxyphenylethyl-3-4-hydroxyphenylprop-2-enamide.jpg "2D Structure of N-[2-hydroxy-2-(4-hydroxyphenyl)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 | 96.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.44% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.87% | 89.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.07% | 96.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.34% | 89.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.47% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.83% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.45% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.92% | 83.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.44% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.35% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.96% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.15% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.77% | 98.35% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.53% | 96.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.41% | 94.73% |
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.
| Capsicum annuum |
| Solanum melongena |
| PubChem | 72957130 |
| LOTUS | LTS0137366 |
| wikiData | Q105282977 |