3,9-Dibenzyl-25-ethyl-6-(1-hydroxyethyl)-4,7,10,15,20,23-hexamethyl-12-propan-2-yl-1-oxa-4,7,10,13,20-pentazacyclopentacos-18-ene-2,5,8,11,14,21-hexone
| Internal ID | d51cb553-be73-40ca-a07e-a90d0c70f1f7 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,9-dibenzyl-25-ethyl-6-(1-hydroxyethyl)-4,7,10,15,20,23-hexamethyl-12-propan-2-yl-1-oxa-4,7,10,13,20-pentazacyclopentacos-18-ene-2,5,8,11,14,21-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H67N5O8/c1-11-36-26-31(4)27-39(53)48(7)25-19-18-20-32(5)42(54)47-40(30(2)3)44(56)49(8)37(28-34-21-14-12-15-22-34)43(55)51(10)41(33(6)52)45(57)50(9)38(46(58)59-36)29-35-23-16-13-17-24-35/h12-17,19,21-25,30-33,36-38,40-41,52H,11,18,20,26-29H2,1-10H3,(H,47,54) |
| InChI Key | LJNGIVUAMWQJIA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H67N5O8 |
| Molecular Weight | 818.10 g/mol |
| Exact Mass | 817.49896411 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
| 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 | 99.63% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.03% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.11% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.77% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.00% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.87% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.69% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.27% | 90.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.54% | 90.08% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 88.51% | 96.37% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.61% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.14% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.80% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.67% | 97.25% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.47% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.17% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.21% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.05% | 98.59% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.02% | 96.47% |
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 | 162864995 |
| LOTUS | LTS0224050 |
| wikiData | Q104171008 |