[(2R,3S,7R,8R)-3-[(3-acetamido-2-hydroxybenzoyl)amino]-2-methyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 2-methylpropanoate
| Internal ID | 714a86c6-182e-41c0-ad25-556bb7b866d1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | [(2R,3S,7R,8R)-3-[(3-acetamido-2-hydroxybenzoyl)amino]-2-methyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36N2O9/c1-6-7-8-10-17-20(37-24(32)14(2)3)13-35-26(34)21(15(4)36-25(17)33)28-23(31)18-11-9-12-19(22(18)30)27-16(5)29/h9,11-12,14-15,17,20-21,30H,6-8,10,13H2,1-5H3,(H,27,29)(H,28,31)/t15-,17-,20+,21+/m1/s1 |
| InChI Key | VVEONJHLAJJPSZ-SLWXAUBPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36N2O9 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.24208073 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,7R,8R)-3-[(3-acetamido-2-hydroxybenzoyl)amino]-2-methyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/950a88c0-8298-11ee-96da-ad2aa23f2961.jpg "2D Structure of [(2R,3S,7R,8R)-3-[(3-acetamido-2-hydroxybenzoyl)amino]-2-methyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 2-methylpropanoate")
| 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 | 98.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.61% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.96% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.96% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.88% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.88% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.79% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.66% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 88.74% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.26% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.09% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.75% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.50% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.02% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.60% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.70% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.05% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.69% | 95.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.32% | 85.83% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.87% | 96.47% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.64% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.64% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163114631 |
| LOTUS | LTS0054544 |
| wikiData | Q105297621 |