[5-(3-Amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] furan-2-carboxylate
| Internal ID | 6413f8b6-b62d-4333-829b-09dc227bb794 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | [5-(3-amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] furan-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO6/c1-3-4-12-27-21(25)19-15(7-5-8-16(19)22)10-11-17(23)14(2)28-20(24)18-9-6-13-26-18/h5-11,13-14,17,23H,3-4,12,22H2,1-2H3 |
| InChI Key | OQSXRPBCVKZSHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO6 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 387.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [5-(3-Amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] furan-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-amino-2-butoxycarbonylphenyl-3-hydroxypent-4-en-2-yl-furan-2-carboxylate.jpg "2D Structure of [5-(3-Amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] furan-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.97% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.40% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.21% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.13% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.09% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.00% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.88% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.97% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.84% | 95.93% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.28% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.27% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.11% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.76% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.02% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.74% | 93.04% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 82.68% | 89.49% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.29% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 162996896 |
| LOTUS | LTS0089495 |
| wikiData | Q104193643 |