Xentrivalpeptide E
| Internal ID | 1292c46d-602d-40d5-8e72-7564b70660af |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-7-methyl-2,5,9,12,15,18-hexaoxo-10,13,16-tri(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H67N7O9/c1-22(2)20-31(51)45-32(23(3)4)38(53)49-36-27(11)59-43(58)35(26(9)10)48-40(55)34(25(7)8)47-39(54)33(24(5)6)46-37(52)30-18-15-19-50(30)42(57)29(44-41(36)56)21-28-16-13-12-14-17-28/h12-14,16-17,22-27,29-30,32-36H,15,18-21H2,1-11H3,(H,44,56)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,49,53)/t27-,29-,30+,32+,33+,34+,35+,36+/m1/s1 |
| InChI Key | YBQOZZHZAJCTLD-STDQDTGYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H67N7O9 |
| Molecular Weight | 826.00 g/mol |
| Exact Mass | 825.50002674 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 5.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.87% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.54% | 85.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.34% | 96.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.00% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.89% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.15% | 92.97% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.35% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.76% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.55% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.44% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.59% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.84% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.90% | 96.47% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.69% | 94.66% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.59% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.25% | 82.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.37% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.03% | 99.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.06% | 95.83% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.01% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 71619734 |
| LOTUS | LTS0132133 |
| wikiData | Q105346001 |