cyclo[DL-OPhe-DL-Pro-DL-OVal-DL-N(Me)Val-DL-Pro-DL-hPhe(b-Me)-DL-Pro-bAla(2-Me,3-Pr)]
| Internal ID | e40651a1-8ef1-4195-af99-138d91d28d7a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 24-benzyl-13,27-dimethyl-3-(1-phenylpropan-2-yl)-12,15-di(propan-2-yl)-28-propyl-16,25-dioxa-1,4,10,13,22,29-hexazatetracyclo[29.3.0.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H74N6O10/c1-9-19-38-35(7)52(66)68-42(31-37-22-14-11-15-23-37)48(62)59-29-18-26-41(59)53(67)69-45(33(4)5)51(65)56(8)44(32(2)3)50(64)58-28-17-25-40(58)47(61)55-43(34(6)30-36-20-12-10-13-21-36)49(63)57-27-16-24-39(57)46(60)54-38/h10-15,20-23,32-35,38-45H,9,16-19,24-31H2,1-8H3,(H,54,60)(H,55,61) |
| InChI Key | HEQFVTIDWBACAH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H74N6O10 |
| Molecular Weight | 955.20 g/mol |
| Exact Mass | 954.54664258 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-OPhe-DL-Pro-DL-OVal-DL-N(Me)Val-DL-Pro-DL-hPhe(b-Me)-DL-Pro-bAla(2-Me,3-Pr)]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ophe-dl-pro-dl-oval-dl-nmeval-dl-pro-dl-hpheb-me-dl-pro-bala2-me3-pr.jpg "2D Structure of cyclo[DL-OPhe-DL-Pro-DL-OVal-DL-N(Me)Val-DL-Pro-DL-hPhe(b-Me)-DL-Pro-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 | 99.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.30% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.82% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.20% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.15% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.12% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.28% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.15% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.66% | 97.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.77% | 99.18% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.86% | 98.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.54% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.17% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.09% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.45% | 86.33% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.96% | 91.76% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.90% | 93.67% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.03% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.63% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.41% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.55% | 97.09% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 82.27% | 92.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.01% | 85.14% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 81.25% | 87.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.76% | 94.66% |
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.
| There are no matching plants. |
| PubChem | 73208243 |
| LOTUS | LTS0114892 |
| wikiData | Q105026984 |