cyclo[DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Val]
| Internal ID | c69bdbae-ff47-4347-af4a-3fb0c078764c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,9-dibenzyl-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C |
| SMILES (Isomeric) | CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C |
| InChI | InChI=1S/C41H57N3O9/c1-24(2)32-41(50)53-34(26(5)6)37(46)43(10)30(22-28-18-14-12-15-19-28)39(48)51-33(25(3)4)36(45)42(9)31(23-29-20-16-13-17-21-29)40(49)52-35(27(7)8)38(47)44(32)11/h12-21,24-27,30-35H,22-23H2,1-11H3 |
| InChI Key | DUOXILOCBMQICJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H57N3O9 |
| Molecular Weight | 735.90 g/mol |
| Exact Mass | 735.40948040 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-oval-dl-nmephe-dl-oval-dl-nmephe-dl-oval-dl-nmeval.jpg "2D Structure of cyclo[DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Phe-DL-OVal-DL-N(Me)Val]")
| 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 | 98.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.29% | 85.14% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.03% | 85.94% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.96% | 91.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.87% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.44% | 93.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.27% | 94.73% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.65% | 93.04% |
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 | 76193034 |
| LOTUS | LTS0216359 |
| wikiData | Q103818721 |