N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
| Internal ID | dc8b1008-3960-4741-bac9-64d04ca6c21d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides |
| IUPAC Name | N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide |
| SMILES (Canonical) | COC1=CC=CC(=C1O)C(=O)NCCCCN(CCCNC(=O)C2=C(C(=CC=C2)O)O)C(=O)C3COC(=N3)C4=C(C(=CC=C4)O)O |
| SMILES (Isomeric) | COC1=CC=CC(=C1O)C(=O)NCCCCN(CCCNC(=O)C2=C(C(=CC=C2)O)O)C(=O)C3COC(=N3)C4=C(C(=CC=C4)O)O |
| InChI | InChI=1S/C32H36N4O10/c1-45-25-13-6-9-20(28(25)41)30(43)33-14-2-3-16-36(17-7-15-34-29(42)19-8-4-11-23(37)26(19)39)32(44)22-18-46-31(35-22)21-10-5-12-24(38)27(21)40/h4-6,8-13,22,37-41H,2-3,7,14-18H2,1H3,(H,33,43)(H,34,42) |
| InChI Key | PVABLKKBFSBUDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H36N4O10 |
| Molecular Weight | 636.60 g/mol |
| Exact Mass | 636.24314336 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/de5b56f0-83f5-11ee-b5f5-53dd6344655f.jpg "2D Structure of N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[4-[(2-hydroxy-3-methoxybenzoyl)amino]butyl]-4,5-dihydro-1,3-oxazole-4-carboxamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.81% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.70% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.33% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.12% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.60% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.42% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.03% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.63% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.23% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.85% | 95.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.82% | 90.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.81% | 90.20% |
| CHEMBL5028 | O14672 | ADAM10 | 84.14% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.77% | 99.23% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.80% | 93.04% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.38% | 96.21% |
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 | 162814424 |
| LOTUS | LTS0122774 |
| wikiData | Q104195453 |