Nostoweipeptin W5
| Internal ID | 0e832da8-cbab-4ac0-b54c-cb3473bf90bc |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2S)-2-[acetyl(methyl)amino]-N-[(1S,5R,7S,13S,21S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-5,39-dihydroxy-35-(hydroxymethyl)-32-[(4-hydroxyphenyl)methyl]-21-methyl-26-(2-methylpropyl)-2,8,14,18,24,27,30,33,36-nonaoxo-15-oxa-3,9,19,25,28,31,34,37-octazapentacyclo[35.3.0.03,7.09,13.019,23]tetracontan-17-yl]-3-phenylpropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H84N10O16/c1-8-34(5)50-55(80)62-42(23-37-16-18-38(73)19-17-37)51(76)63-43(30-71)56(81)69-28-39(74)26-49(69)59(84)70-29-40(75)25-48(70)58(83)67-20-12-15-45(67)60(85)86-31-44(64-53(78)46(66(7)35(6)72)24-36-13-10-9-11-14-36)57(82)68-27-33(4)22-47(68)54(79)61-41(21-32(2)3)52(77)65-50/h9-11,13-14,16-19,32-34,39-50,71,73-75H,8,12,15,20-31H2,1-7H3,(H,61,79)(H,62,80)(H,63,76)(H,64,78)(H,65,77)/t33-,34-,39+,40+,41+,42-,43?,44?,45-,46-,47-,48-,49-,50-/m0/s1 |
| InChI Key | QBRYIOPFZPBWEV-JSKPIKICSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C60H84N10O16 |
| Molecular Weight | 1201.40 g/mol |
| Exact Mass | 1200.60667663 g/mol |
| Topological Polar Surface Area (TPSA) | 354.00 Ų |
| XlogP | 1.80 |
| DTXSID201047746 |
| 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 | 99.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.78% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.68% | 90.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 97.09% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 95.42% | 97.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 94.91% | 90.93% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.39% | 96.61% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 93.76% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.40% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.16% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.13% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.09% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.41% | 91.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.67% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.58% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.27% | 93.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.22% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.20% | 89.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.18% | 92.97% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.73% | 94.66% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.71% | 95.83% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.48% | 96.37% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.17% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.59% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.58% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.27% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.92% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.47% | 94.45% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.18% | 96.76% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.09% | 88.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.99% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.31% | 89.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146683679 |
| LOTUS | LTS0070750 |
| wikiData | Q105217976 |