4-[2-(Methylamino)ethyl]-2-[2-(2-methyloxiran-2-yl)ethenyl]phenol
| Internal ID | 09d87990-eb10-47e2-8792-d2607cf8cc57 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines |
| IUPAC Name | 4-[2-(methylamino)ethyl]-2-[2-(2-methyloxiran-2-yl)ethenyl]phenol |
| SMILES (Canonical) | CC1(CO1)C=CC2=C(C=CC(=C2)CCNC)O |
| SMILES (Isomeric) | CC1(CO1)C=CC2=C(C=CC(=C2)CCNC)O |
| InChI | InChI=1S/C14H19NO2/c1-14(10-17-14)7-5-12-9-11(6-8-15-2)3-4-13(12)16/h3-5,7,9,15-16H,6,8,10H2,1-2H3 |
| InChI Key | NQFQDPGLVRKKDY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.31 g/mol |
| Exact Mass | 233.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 4-[2-(Methylamino)ethyl]-2-[2-(2-methyloxiran-2-yl)ethenyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-methylaminoethyl-2-2-2-methyloxiran-2-ylethenylphenol.jpg "2D Structure of 4-[2-(Methylamino)ethyl]-2-[2-(2-methyloxiran-2-yl)ethenyl]phenol")
| 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 | 99.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.29% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.55% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.26% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.12% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.02% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.29% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.27% | 90.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.30% | 95.17% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 82.54% | 89.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.22% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.53% | 89.34% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.14% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.81% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.62% | 95.89% |
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.
| Zanthoxylum spinosum |
| PubChem | 162895461 |
| LOTUS | LTS0061821 |
| wikiData | Q105183769 |