Paltolide C
| Internal ID | e034015a-92cd-4ab8-a6aa-0c061f4cf8d5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-[[(3S,6S,9S,12S,15R)-3-[(6-bromo-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H62BrN11O8/c1-21(2)16-31-37(57)52(6)32(17-22(3)4)36(56)48-30(18-24-20-46-29-19-25(41)12-13-26(24)29)34(54)44-14-8-7-10-27(35(55)47-23(5)33(53)49-31)50-40(60)51-28(38(58)59)11-9-15-45-39(42)43/h12-13,19-23,27-28,30-32,46H,7-11,14-18H2,1-6H3,(H,44,54)(H,47,55)(H,48,56)(H,49,53)(H,58,59)(H4,42,43,45)(H2,50,51,60)/t23-,27+,28-,30-,31-,32-/m0/s1 |
| InChI Key | VSWORHNYRRXESF-KUEVFPKLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H62BrN11O8 |
| Molecular Weight | 904.90 g/mol |
| Exact Mass | 903.39662 g/mol |
| Topological Polar Surface Area (TPSA) | 295.00 Ų |
| XlogP | 2.60 |
| CHEMBL1077091 |
| 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 | 99.78% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.37% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.58% | 94.45% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 96.56% | 88.42% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 95.09% | 99.52% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.69% | 90.71% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 94.47% | 97.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.44% | 93.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.38% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.88% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.35% | 89.62% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.98% | 98.33% |
| CHEMBL204 | P00734 | Thrombin | 92.49% | 96.01% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.41% | 83.82% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 92.06% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.62% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.61% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.76% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.66% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.16% | 96.31% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.13% | 97.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.89% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.81% | 96.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.25% | 95.38% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.50% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.98% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.85% | 96.76% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.43% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.91% | 94.75% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.57% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.81% | 95.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.28% | 88.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.01% | 98.57% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.09% | 99.15% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.88% | 96.47% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.74% | 93.10% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.35% | 97.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.08% | 99.17% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.98% | 80.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.96% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.78% | 98.59% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.51% | 96.90% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.30% | 98.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.73% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.37% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.56% | 95.93% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 80.53% | 98.24% |
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 | 45378411 |
| LOTUS | LTS0217539 |
| wikiData | Q105292575 |