Ac-DL-xiThr(1)-DL-Phe-DL-Ala-DL-Pro-DL-Trp-(1)
| Internal ID | 8612ee05-160f-40bb-bc7c-badf4e28a1f0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[6-benzyl-13-(1H-indol-3-ylmethyl)-3,10-dimethyl-2,5,8,12,15-pentaoxo-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H40N6O7/c1-19-33(45)40-15-9-14-28(40)31(43)39-27(17-23-18-35-25-13-8-7-12-24(23)25)34(46)47-20(2)29(37-21(3)41)32(44)38-26(30(42)36-19)16-22-10-5-4-6-11-22/h4-8,10-13,18-20,26-29,35H,9,14-17H2,1-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43) |
| InChI Key | IACBOWBNBXRQFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40N6O7 |
| Molecular Weight | 644.70 g/mol |
| Exact Mass | 644.29584764 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 2.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.67% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.39% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 98.32% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.02% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.06% | 95.56% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.27% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.13% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.29% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.21% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.00% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.71% | 83.82% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.27% | 97.05% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 87.14% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.86% | 98.59% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.00% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.95% | 88.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.35% | 96.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.25% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.11% | 92.97% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 82.85% | 99.52% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.78% | 95.83% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.85% | 96.90% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.40% | 95.71% |
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.
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| There are no matching plants. |
| PubChem | 163062232 |
| LOTUS | LTS0096122 |
| wikiData | Q104168556 |