Acidiphilamide D
| Internal ID | 3ab73468-7805-42d6-bded-b8a796ecb1a0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylpentanamide |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CC |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CC |
| InChI | InChI=1S/C27H37N3O5/c1-4-18(3)25(27(35)28-21(17-31)15-19-9-7-6-8-10-19)30-26(34)23(29-24(33)5-2)16-20-11-13-22(32)14-12-20/h6-14,18,21,23,25,31-32H,4-5,15-17H2,1-3H3,(H,28,35)(H,29,33)(H,30,34)/t18-,21-,23-,25-/m0/s1 |
| InChI Key | LLNCQMGXHNBIJZ-RCGJGYDGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H37N3O5 |
| Molecular Weight | 483.60 g/mol |
| Exact Mass | 483.27332129 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 2.80 |
| CHEMBL4545747 |
| 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 | 99.82% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.49% | 90.20% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.75% | 96.61% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.70% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.10% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.02% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.88% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.74% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.71% | 96.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.79% | 91.71% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 90.07% | 89.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.33% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.33% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.39% | 96.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.26% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.46% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.03% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.29% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.50% | 91.19% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.80% | 97.53% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 145720802 |
| LOTUS | LTS0210849 |
| wikiData | Q105153584 |