Isaridin E
| Internal ID | 9ebdea85-1eea-45f3-848e-be8635faa974 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (10S,13S,16S,19S)-16-benzyl-11,14-dimethyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H53N5O7/c1-21(2)19-27-34(45)40-18-12-15-26(40)31(42)37-25(20-24-13-10-9-11-14-24)33(44)39(8)30(23(5)6)35(46)38(7)29(22(3)4)32(43)36-17-16-28(41)47-27/h9-11,13-14,21-23,25-27,29-30H,12,15-20H2,1-8H3,(H,36,43)(H,37,42)/t25-,26-,27?,29-,30-/m0/s1 |
| InChI Key | RTZWJENDDHDLIV-UTKDJJAFSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C35H53N5O7 |
| Molecular Weight | 655.80 g/mol |
| Exact Mass | 655.39449905 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 4.10 |
| RefChem:148891 |
| (10S,13S,16S,19S)-16-benzyl-11,14-dimethyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo(17.3.0)docosane-2,5,9,12,15,18-hexone |
| CHEMBL227907 |
| SCHEMBL29384850 |
| 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 | 99.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.12% | 92.97% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.04% | 97.64% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.97% | 96.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.36% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.71% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.26% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.85% | 97.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.72% | 82.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.57% | 95.93% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.49% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.38% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 86.99% | 96.01% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.97% | 95.51% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.47% | 93.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.19% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.05% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.87% | 85.14% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.12% | 96.61% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.79% | 98.59% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.68% | 97.14% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.45% | 94.66% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 84.31% | 92.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.80% | 96.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.68% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.42% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.19% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 16680915 |
| LOTUS | LTS0082692 |
| wikiData | Q105245521 |