Wewakamide A
| Internal ID | 8f10bff3-9363-4706-a5ff-5611df32400c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9S,12R,13R,16S,19S,22S,25S,28S)-6-benzyl-19-[(2S)-butan-2-yl]-12,13,20,23,25,26-hexamethyl-9,22-bis(2-methylpropyl)-3,16-di(propan-2-yl)-4-oxa-1,7,10,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontane-2,5,8,11,15,18,21,24,27-nonone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H86N8O10/c1-17-33(10)43-48(65)57-42(31(6)7)47(64)54-35(12)34(11)45(62)55-38(26-29(2)3)46(63)56-39(28-37-22-19-18-20-23-37)53(70)71-44(32(8)9)52(69)61-25-21-24-40(61)50(67)58(14)36(13)49(66)59(15)41(27-30(4)5)51(68)60(43)16/h18-20,22-23,29-36,38-44H,17,21,24-28H2,1-16H3,(H,54,64)(H,55,62)(H,56,63)(H,57,65)/t33-,34+,35+,36-,38-,39-,40-,41-,42-,43-,44-/m0/s1 |
| InChI Key | QGVOFCJSCWSNCO-POWBWRITSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C53H86N8O10 |
| Molecular Weight | 995.30 g/mol |
| Exact Mass | 994.64669097 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 7.10 |
| DTXSID701102391 |
| 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 | 99.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.29% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.47% | 97.64% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 95.35% | 82.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.15% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.06% | 96.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.47% | 95.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 94.21% | 98.57% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.87% | 91.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.73% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.63% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.73% | 90.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.73% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.41% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.05% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.86% | 99.18% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.70% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.02% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.79% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.35% | 95.89% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.26% | 95.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.05% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.98% | 93.67% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 82.40% | 92.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.98% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.49% | 94.73% |
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 | 139586107 |
| LOTUS | LTS0074349 |
| wikiData | Q77498977 |