4-[2-[(3-Formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoyl]oxy-2-methyl-3-(2-phenylacetyl)oxypentanoic acid
| Internal ID | d6ff6a7b-f343-42bc-87d0-ca6726039f88 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives |
| IUPAC Name | 4-[2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoyl]oxy-2-methyl-3-(2-phenylacetyl)oxypentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30N2O10/c1-14(25(34)35)23(38-20(31)12-17-8-5-4-6-9-17)16(3)37-26(36)21(15(2)30)28-24(33)18-10-7-11-19(22(18)32)27-13-29/h4-11,13-16,21,23,30,32H,12H2,1-3H3,(H,27,29)(H,28,33)(H,34,35) |
| InChI Key | BYMJYHDRJJTMNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30N2O10 |
| Molecular Weight | 530.50 g/mol |
| Exact Mass | 530.19004516 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-[2-[(3-Formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoyl]oxy-2-methyl-3-(2-phenylacetyl)oxypentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ea68aff0-863c-11ee-a345-834530e5d094.jpg "2D Structure of 4-[2-[(3-Formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoyl]oxy-2-methyl-3-(2-phenylacetyl)oxypentanoic 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 | 99.24% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.55% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.24% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.27% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.88% | 89.34% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.05% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.62% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.84% | 93.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.55% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.23% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.05% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.23% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 83.94% | 97.50% |
| CHEMBL3308 | P55212 | Caspase-6 | 82.91% | 97.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.89% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.50% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.81% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162861765 |
| LOTUS | LTS0208286 |
| wikiData | Q103817133 |