Pseudodestruxin A
| Internal ID | 25329a73-9c32-464e-ba31-62ac0693396d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,10S,13S,16S,19S)-16-benzyl-13-[(2S)-butan-2-yl]-11,14-dimethyl-3,10-bis(2-methylpropyl)-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/C37H57N5O7/c1-9-25(6)32-37(48)40(7)29(20-23(2)3)33(44)38-18-17-31(43)49-30(21-24(4)5)36(47)42-19-13-16-28(42)34(45)39-27(35(46)41(32)8)22-26-14-11-10-12-15-26/h10-12,14-15,23-25,27-30,32H,9,13,16-22H2,1-8H3,(H,38,44)(H,39,45)/t25-,27-,28-,29-,30-,32-/m0/s1 |
| InChI Key | MDOMEJMFUHIERW-KZECFEFESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H57N5O7 |
| Molecular Weight | 683.90 g/mol |
| Exact Mass | 683.42579917 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 4.80 |
| CHEMBL505239 |
| SCHEMBL3132509 |
| 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 | 97.24% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.05% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.68% | 92.97% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.16% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.91% | 82.38% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.22% | 98.59% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.06% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.01% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.81% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.88% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.79% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.24% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.85% | 97.05% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 87.81% | 90.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.30% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.02% | 94.45% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 86.72% | 92.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.52% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.29% | 93.03% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.16% | 95.34% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.35% | 97.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.32% | 99.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.04% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.77% | 90.93% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.64% | 95.51% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.42% | 94.66% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.90% | 92.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.32% | 94.73% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.31% | 95.62% |
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.
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| There are no matching plants. |
| PubChem | 10078314 |
| LOTUS | LTS0210820 |
| wikiData | Q75064079 |