butanoyl-DL-Val-DL-xiThr(1)-DL-Phe-DL-Pro-DL-Val-DL-Val-DL-Val-(1)
| Internal ID | 5486205e-16ae-4d56-97fb-46a316b0f855 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[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]-2-(butanoylamino)-3-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H65N7O9/c1-11-16-30(50)44-31(22(2)3)37(52)48-35-26(10)58-42(57)34(25(8)9)47-39(54)33(24(6)7)46-38(53)32(23(4)5)45-36(51)29-19-15-20-49(29)41(56)28(43-40(35)55)21-27-17-13-12-14-18-27/h12-14,17-18,22-26,28-29,31-35H,11,15-16,19-21H2,1-10H3,(H,43,55)(H,44,50)(H,45,51)(H,46,53)(H,47,54)(H,48,52) |
| InChI Key | ITHVGOYCXWIZMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H65N7O9 |
| Molecular Weight | 812.00 g/mol |
| Exact Mass | 811.48437668 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 4.80 |
| 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 | 99.91% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.01% | 85.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.50% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.64% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.21% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.95% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.68% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.76% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.11% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.75% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.97% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.88% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.54% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.09% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.42% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.05% | 93.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.86% | 92.97% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.98% | 93.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.79% | 95.83% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.35% | 96.47% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.82% | 94.66% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.32% | 98.59% |
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 | 78136471 |
| LOTUS | LTS0074328 |
| wikiData | Q104169104 |