(2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide
| Internal ID | 41a01f8b-e14e-491f-8418-31dae4972d12 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+ |
| InChI Key | ODKIYTBYJKALOK-SZMANEMWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H57N7O11 |
| Molecular Weight | 896.00 g/mol |
| Exact Mass | 895.41160566 g/mol |
| Topological Polar Surface Area (TPSA) | 241.00 Ų |
| XlogP | 2.70 |
| 139601-96-0 |
| AKOS040755359 |
![2D Structure of (2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide](https://plantaedb.com/storage/docs/compounds/2023/11/7afd57b0-8724-11ee-a183-dbb99f5c8f17.jpg "2D Structure of (2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide")
| 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 | 99.83% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.98% | 97.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.49% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.26% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.66% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.42% | 98.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.72% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.02% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.12% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.53% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 85.89% | 97.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.88% | 90.93% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 85.68% | 98.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.60% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.35% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.25% | 97.25% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.18% | 85.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.02% | 82.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 5896956 |
| LOTUS | LTS0080166 |
| wikiData | Q105189886 |