N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-8,14-dibenzyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
| Internal ID | e7baa0b9-5a3f-4ffc-8a2f-4ff5827e70de |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-8,14-dibenzyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H65N9O12/c1-28(2)25-37-43(61)51-38(26-32-15-8-6-9-16-32)44(62)48-35(20-13-23-53(65)30(4)56)41(59)46-34(19-12-22-52(64)29(3)55)40(58)47-36(21-14-24-54(66)31(5)57)42(60)50-39(45(63)49-37)27-33-17-10-7-11-18-33/h6-11,15-18,28,34-39,64-66H,12-14,19-27H2,1-5H3,(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,60)(H,51,61) |
| InChI Key | XHQSGNPILRSDKT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H65N9O12 |
| Molecular Weight | 924.00 g/mol |
| Exact Mass | 923.47526854 g/mol |
| Topological Polar Surface Area (TPSA) | 296.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-8,14-dibenzyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/478c4ea0-85df-11ee-9e53-45acd40ff5ec.jpg "2D Structure of N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-8,14-dibenzyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide")
| 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 | 99.51% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.94% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.94% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.70% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.77% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.27% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.21% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.85% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.26% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.06% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.63% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.36% | 99.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.59% | 89.67% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.77% | 85.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.10% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.56% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.32% | 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 | 162814083 |
| LOTUS | LTS0019322 |
| wikiData | Q104200994 |