cyclo[DL-OVal-DL-N(Me)Tyr-DL-N(Me)Val-Unk-bAla(2-Me,3-Pr)]
| Internal ID | 7e67d6c2-ce25-4e74-91e0-091f52f9dd9e |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5,11-di(propan-2-yl)-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone |
| SMILES (Canonical) | CCCC1C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(=O)NC(C2=NC(=CS2)C(=O)N1)C)C(C)C)C)CC3=CC=C(C=C3)O)C)C(C)C)C |
| SMILES (Isomeric) | CCCC1C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(=O)NC(C2=NC(=CS2)C(=O)N1)C)C(C)C)C)CC3=CC=C(C=C3)O)C)C(C)C)C |
| InChI | InChI=1S/C34H49N5O7S/c1-10-11-24-20(6)34(45)46-28(19(4)5)33(44)38(8)26(16-22-12-14-23(40)15-13-22)32(43)39(9)27(18(2)3)30(42)35-21(7)31-37-25(17-47-31)29(41)36-24/h12-15,17-21,24,26-28,40H,10-11,16H2,1-9H3,(H,35,42)(H,36,41) |
| InChI Key | FRWFEXMWAJIROC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H49N5O7S |
| Molecular Weight | 671.80 g/mol |
| Exact Mass | 671.33527009 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-OVal-DL-N(Me)Tyr-DL-N(Me)Val-Unk-bAla(2-Me,3-Pr)]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-oval-dl-nmetyr-dl-nmeval-unk-bala2-me3-pr.jpg "2D Structure of cyclo[DL-OVal-DL-N(Me)Tyr-DL-N(Me)Val-Unk-bAla(2-Me,3-Pr)]")
| 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 | 99.08% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.66% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.04% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.87% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 94.06% | 98.57% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.48% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.47% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.34% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.71% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.66% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.56% | 86.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.49% | 93.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.38% | 93.65% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.58% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.40% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.30% | 85.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.66% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.66% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73837269 |
| LOTUS | LTS0055745 |
| wikiData | Q104166724 |