[2-[[2-Benzamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate
| Internal ID | d84c598b-acd3-4025-a76c-4f80cb2aedbb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines > Amphetamines and derivatives |
| IUPAC Name | [2-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate |
| SMILES (Canonical) | CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C27H28N2O5/c1-19(30)34-18-23(16-20-8-4-2-5-9-20)28-27(33)25(17-21-12-14-24(31)15-13-21)29-26(32)22-10-6-3-7-11-22/h2-15,23,25,31H,16-18H2,1H3,(H,28,33)(H,29,32) |
| InChI Key | NEJWXPXNRWSCLT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28N2O5 |
| Molecular Weight | 460.50 g/mol |
| Exact Mass | 460.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [2-[[2-Benzamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-benzamido-3-4-hydroxyphenylpropanoylamino-3-phenylpropyl-acetate.jpg "2D Structure of [2-[[2-Benzamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.84% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.54% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.14% | 90.20% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.78% | 96.61% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.14% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.82% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.81% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.55% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.22% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.98% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.47% | 89.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.96% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.39% | 94.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.37% | 91.49% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.91% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.72% | 95.89% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.64% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.40% | 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.
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| There are no matching plants. |
| PubChem | 74399784 |
| LOTUS | LTS0121183 |
| wikiData | Q104172399 |