5-[4-[(2-Hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid
| Internal ID | 7825f680-c66d-4490-84fb-35a741b5feaf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | 5-[4-[(2-hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid |
| SMILES (Canonical) | CC1C(C(=O)N(O1)CCCC(C(=O)O)NC(=O)C2C(OC(=N2)C3=CC=CC=C3O)C)NC(=O)C4=CC=CC=C4O |
| SMILES (Isomeric) | CC1C(C(=O)N(O1)CCCC(C(=O)O)NC(=O)C2C(OC(=N2)C3=CC=CC=C3O)C)NC(=O)C4=CC=CC=C4O |
| InChI | InChI=1S/C27H30N4O9/c1-14-21(30-25(39-14)17-9-4-6-12-20(17)33)24(35)28-18(27(37)38)10-7-13-31-26(36)22(15(2)40-31)29-23(34)16-8-3-5-11-19(16)32/h3-6,8-9,11-12,14-15,18,21-22,32-33H,7,10,13H2,1-2H3,(H,28,35)(H,29,34)(H,37,38) |
| InChI Key | HPKUVOXMUWHGDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30N4O9 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.20127855 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 5-[4-[(2-Hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ffe1f870-861d-11ee-9d08-f1075da01434.jpg "2D Structure of 5-[4-[(2-Hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid")
| 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 | 99.04% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.00% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.85% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.17% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.51% | 81.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.84% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.13% | 82.69% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.56% | 87.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.94% | 90.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.41% | 98.33% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.50% | 85.83% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.39% | 93.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.22% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.57% | 99.15% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.13% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 81.90% | 97.50% |
| CHEMBL2321614 | Q9NPC2 | Potassium channel subfamily K member 9 | 81.64% | 80.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162815600 |
| LOTUS | LTS0106795 |
| wikiData | Q104168082 |