cyclo[DL-Leu-DL-Leu-DL-Phe-DL-OLeu-DL-Phe]
| Internal ID | 190f09ed-222e-45c7-bd7c-a356ccf039b5 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,12-dibenzyl-6,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone |
| SMILES (Canonical) | CC(C)CC1C(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(C)C)CC3=CC=CC=C3)CC(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(C)C)CC3=CC=CC=C3)CC(C)C |
| InChI | InChI=1S/C36H50N4O6/c1-22(2)17-27-32(41)37-28(18-23(3)4)33(42)40-30(21-26-15-11-8-12-16-26)36(45)46-31(19-24(5)6)35(44)39-29(34(43)38-27)20-25-13-9-7-10-14-25/h7-16,22-24,27-31H,17-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)(H,40,42) |
| InChI Key | CKEAPQMIPHEQRF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H50N4O6 |
| Molecular Weight | 634.80 g/mol |
| Exact Mass | 634.37303533 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-DL-Leu-DL-Phe-DL-OLeu-DL-Phe]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-leu-dl-leu-dl-phe-dl-oleu-dl-phe.jpg "2D Structure of cyclo[DL-Leu-DL-Leu-DL-Phe-DL-OLeu-DL-Phe]")
| 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 | 98.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.97% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.74% | 97.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.41% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.86% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.25% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 97.14% |
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 | 162921470 |
| LOTUS | LTS0131973 |
| wikiData | Q103817800 |