Urukthapelstatin A
| Internal ID | b6751037-e819-4776-9669-3880c76939ff |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (20R,23S,26Z)-20-[(2S)-butan-2-yl]-26-ethylidene-23-methyl-16-phenyl-3,15,28-trioxa-7,11-dithia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H30N8O6S2/c1-5-16(3)24-28(44)35-17(4)27(43)36-19(6-2)30-37-20(12-46-30)31-38-21(13-47-31)33-40-23(15-50-33)34-39-22(14-49-34)32-42-25(29(45)41-24)26(48-32)18-10-8-7-9-11-18/h6-17,24H,5H2,1-4H3,(H,35,44)(H,36,43)(H,41,45)/b19-6-/t16-,17-,24+/m0/s1 |
| InChI Key | LDFMSIKUSPHBGH-GTAKYJCGSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C34H30N8O6S2 |
| Molecular Weight | 710.80 g/mol |
| Exact Mass | 710.17297305 g/mol |
| Topological Polar Surface Area (TPSA) | 248.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
| 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 | 98.36% | 98.95% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 96.68% | 87.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.62% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.51% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.70% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 93.32% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.12% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.32% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.29% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.81% | 94.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 90.31% | 88.84% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.23% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.00% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.63% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.95% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.69% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.11% | 93.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.32% | 81.11% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.84% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.78% | 93.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.77% | 98.57% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.01% | 95.48% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 16658626 |
| LOTUS | LTS0078710 |
| wikiData | Q77564210 |