cyclo[DL-Asp-DL-Leu-DL-xiThr-DL-Val-DL-Tyr-DL-Phe-Gly]
| Internal ID | 3f8b7d24-0cf5-4c16-bbb1-5b1495abd117 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[17-benzyl-8-(1-hydroxyethyl)-14-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-11-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H53N7O11/c1-20(2)15-26-37(55)46-33(22(5)47)39(57)45-32(21(3)4)38(56)44-28(17-24-11-13-25(48)14-12-24)35(53)43-27(16-23-9-7-6-8-10-23)34(52)40-19-30(49)41-29(18-31(50)51)36(54)42-26/h6-14,20-22,26-29,32-33,47-48H,15-19H2,1-5H3,(H,40,52)(H,41,49)(H,42,54)(H,43,53)(H,44,56)(H,45,57)(H,46,55)(H,50,51) |
| InChI Key | MWNOTYPKDQELBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H53N7O11 |
| Molecular Weight | 795.90 g/mol |
| Exact Mass | 795.38030553 g/mol |
| Topological Polar Surface Area (TPSA) | 281.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Asp-DL-Leu-DL-xiThr-DL-Val-DL-Tyr-DL-Phe-Gly]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asp-dl-leu-dl-xithr-dl-val-dl-tyr-dl-phe-gly.jpg "2D Structure of cyclo[DL-Asp-DL-Leu-DL-xiThr-DL-Val-DL-Tyr-DL-Phe-Gly]")
| 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 | 99.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.49% | 85.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 96.41% | 90.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL4071 | P08311 | Cathepsin G | 92.16% | 94.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.06% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.44% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.12% | 90.08% |
| CHEMBL268 | P43235 | Cathepsin K | 90.46% | 96.85% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.90% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.53% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.40% | 89.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.01% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.66% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.52% | 97.14% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 84.19% | 99.09% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 83.85% | 87.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.09% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.57% | 95.93% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.42% | 92.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.47% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.03% | 94.73% |
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.
| Citrus medica |
| PubChem | 162972929 |
| LOTUS | LTS0090890 |
| wikiData | Q105173676 |