L-Tyrosine, N-(1-(N-(4-((3-hydroxy-4-((N-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-L-leucyl)-L-threonyl)amino)-6-methyl-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-, phi-lactone
| Internal ID | 1e38d177-744d-497b-966d-4e873f2c8c06 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[1-[[13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70) |
| InChI Key | KYHUYMLIVQFXRI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C57H89N7O15 |
| Molecular Weight | 1112.40 g/mol |
| Exact Mass | 1111.64166516 g/mol |
| Topological Polar Surface Area (TPSA) | 288.00 Ų |
| XlogP | 5.50 |
| C57H89N7O15 |
| Neuro_000164 |
| KYHUYMLIVQFXRI-UHFFFAOYSA-N |
| CDA32705 |
| MFCD01677226 |
| N-[1-[[13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide |
| L-Tyrosine,5-dimethyl-1,3-dioxohexyl]-L-leucyl]-1-prolyl]-N,O-dimethyl-, .phi.-lactone |
| L-Tyrosine, N-(1-(N-(4-((3-hydroxy-4-((N-(N-(1-(2-hydroxy-1-oxopropyl) -L-propyl)-N-methyl-L-leucyl)-L-threonyl)amino)-6-methyl-1- oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-1- prolyl)-N,O-dimethyl-, phi-lactone |
| N-[1-(([10-Sec-butyl-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]am # |
| N-[1-[[12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,22-heptaoxo-13-sec-butyl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-1-(2-hydroxypropanoyl)-N-methyl-pyrrolidine-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.90% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.87% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.64% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.69% | 85.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.95% | 96.31% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 96.94% | 94.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.32% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.54% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.51% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.32% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.97% | 95.89% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 93.57% | 92.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.45% | 82.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.97% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.75% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.15% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.21% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.09% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.99% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.97% | 91.19% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 89.88% | 97.29% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.82% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.77% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.42% | 97.64% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 88.96% | 97.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.88% | 95.89% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.87% | 95.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.59% | 97.05% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.00% | 96.76% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.87% | 92.88% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 85.68% | 94.00% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 85.51% | 98.44% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.48% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.25% | 94.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 85.09% | 95.39% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.90% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.77% | 98.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.75% | 95.71% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.47% | 97.86% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.43% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.92% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.80% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.70% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.09% | 96.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.90% | 96.69% |
| CHEMBL3691 | Q13822 | Autotaxin | 82.84% | 96.39% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.42% | 98.59% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.92% | 97.50% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 81.61% | 96.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.36% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.84% | 96.90% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.58% | 96.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 550898 |
| LOTUS | LTS0054973 |
| wikiData | Q105147733 |