Tripropeptin E
| Internal ID | 8a8f12b0-f546-43fe-94d5-623f8afffe28 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2R)-2-[(1R,7S,10S,13R,21S,22S,25S,32R)-25-[carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(12-methyltridecyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid |
| SMILES (Canonical) | CC(C)CCCCCCCCCCCC1CC(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCC(C4C(=O)NC(C(=O)O1)C(C(=O)O)O)O)CO)C(C(=O)O)O)CCCN=C(N)N)C(C)O |
| SMILES (Isomeric) | C[C@H]([C@@H]1C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N4CC[C@@H]([C@H]4C(=O)N[C@H](C(=O)OC(CC(=O)N1)CCCCCCCCCCCC(C)C)C(C(=O)O)O)O)CO)[C@H](C(=O)O)O)CCCN=C(N)N)O |
| InChI | InChI=1S/C53H87N11O19/c1-28(2)16-11-9-7-5-4-6-8-10-12-17-30-26-36(68)59-37(29(3)66)49(77)63-24-15-20-34(63)48(76)62-23-14-19-33(62)44(72)57-31(18-13-22-56-53(54)55)43(71)60-38(41(69)50(78)79)45(73)58-32(27-65)47(75)64-25-21-35(67)40(64)46(74)61-39(52(82)83-30)42(70)51(80)81/h28-35,37-42,65-67,69-70H,4-27H2,1-3H3,(H,57,72)(H,58,73)(H,59,68)(H,60,71)(H,61,74)(H,78,79)(H,80,81)(H4,54,55,56)/t29-,30?,31+,32?,33+,34-,35+,37-,38-,39+,40+,41-,42?/m1/s1 |
| InChI Key | WMDXQOHHZMAZFS-XIEMWWMPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C53H87N11O19 |
| Molecular Weight | 1182.30 g/mol |
| Exact Mass | 1181.61796959 g/mol |
| Topological Polar Surface Area (TPSA) | 473.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.49% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.47% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.76% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.87% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.31% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.12% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.05% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.84% | 82.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.76% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.38% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.05% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.49% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.27% | 92.97% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 91.26% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.12% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.24% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.18% | 93.56% |
| CHEMBL204 | P00734 | Thrombin | 90.04% | 96.01% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.41% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.55% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.47% | 96.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.89% | 96.61% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.82% | 94.66% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.04% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.57% | 92.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.51% | 93.03% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 84.83% | 98.77% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 84.71% | 96.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.52% | 96.47% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.27% | 88.56% |
| CHEMBL1801 | P00747 | Plasminogen | 84.07% | 92.44% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.89% | 95.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.29% | 93.18% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 83.23% | 96.11% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.83% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.73% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.51% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.39% | 97.14% |
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.
To see more specific details click the taxa you are interested in.
| Artemisia keiskeana |
| PubChem | 139588376 |
| LOTUS | LTS0210841 |
| wikiData | Q105265209 |