N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxytetradec-7-enamide
| Internal ID | 763f3be5-9f45-4a05-a0d8-fa1c79d465ef |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxytetradec-7-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H99N13O9/c1-2-3-4-5-6-7-8-9-10-23-38(66)36-45(67)59-37-46(68)60-40(25-12-18-31-54)48(70)62-44-29-16-22-35-58-47(69)39(24-11-17-30-53)61-49(71)41(26-13-19-32-55)63-50(72)42(27-14-20-33-56)64-51(73)43(65-52(44)74)28-15-21-34-57/h7-8,38-44,66H,2-6,9-37,53-57H2,1H3,(H,58,69)(H,59,67)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,74) |
| InChI Key | DZFFFNBFSIGFMU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H99N13O9 |
| Molecular Weight | 1050.40 g/mol |
| Exact Mass | 1049.76887179 g/mol |
| Topological Polar Surface Area (TPSA) | 383.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxytetradec-7-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/d6148f60-8702-11ee-9ba1-cde4363ce1cb.jpg "2D Structure of N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxytetradec-7-enamide")
| 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 | 99.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.83% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.79% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.36% | 94.45% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 95.80% | 96.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.44% | 99.35% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.65% | 97.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 94.19% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.83% | 89.63% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.59% | 98.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.58% | 92.88% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.37% | 97.23% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 92.48% | 94.55% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 92.35% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.11% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.88% | 90.08% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.63% | 93.18% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.28% | 95.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.22% | 93.56% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 90.72% | 96.33% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 90.71% | 96.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.37% | 94.66% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.95% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.62% | 90.71% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 88.90% | 98.24% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.39% | 89.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.93% | 97.25% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.82% | 98.05% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.39% | 92.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.35% | 93.10% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.34% | 89.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.82% | 96.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.03% | 95.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.60% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.30% | 90.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.96% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.80% | 82.69% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.79% | 96.90% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.33% | 80.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.25% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.50% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.30% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.98% | 92.32% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.59% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.36% | 93.03% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.76% | 91.03% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 81.61% | 88.42% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.58% | 95.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.39% | 95.58% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.14% | 90.20% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.01% | 89.34% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.92% | 95.92% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.59% | 95.93% |
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 | 76029839 |
| LOTUS | LTS0102680 |
| wikiData | Q103818816 |