Xentrivalpeptide L
| Internal ID | ffe29941-243c-4219-a934-05ab84cabafc |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S)-3-methyl-N-[(3R,6S,7R,10S,13S,16S,19S)-7-methyl-3-(2-methylpropyl)-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]-2-[(2-phenylacetyl)amino]butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H67N7O9/c1-22(2)20-29-42(57)50-19-15-18-30(50)37(52)46-33(24(5)6)39(54)47-34(25(7)8)40(55)48-35(26(9)10)43(58)59-27(11)36(41(56)44-29)49-38(53)32(23(3)4)45-31(51)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 | RSWKXBQPPHRRRM-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 | 5.30 |
| 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 | 97.99% | 85.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.73% | 96.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.42% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.09% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.87% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.90% | 93.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.03% | 92.97% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.91% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.02% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.96% | 97.64% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.01% | 94.66% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.60% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.31% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.56% | 99.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.33% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.20% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.59% | 95.83% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.54% | 90.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.08% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.69% | 93.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.46% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.06% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.48% | 93.67% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.34% | 92.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.20% | 82.38% |
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 | 71619937 |
| LOTUS | LTS0161452 |
| wikiData | Q77509117 |