deamino-Leu-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH
| Internal ID | 9ee53dfb-b073-4cca-8008-f44460abfad5 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(4-methylpentanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H65N5O9/c1-18(2)12-13-28(43)39-31(21(7)8)35(49)40-32(22(9)10)34(48)38-24(14-19(3)4)26(41)16-29(44)36-23(11)33(47)37-25(15-20(5)6)27(42)17-30(45)46/h18-27,31-32,41-42H,12-17H2,1-11H3,(H,36,44)(H,37,47)(H,38,48)(H,39,43)(H,40,49)(H,45,46) |
| InChI Key | JOKUGRFMJJOCQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H65N5O9 |
| Molecular Weight | 699.90 g/mol |
| Exact Mass | 699.47822867 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | 3.30 |
| 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 | 99.68% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.61% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.11% | 90.17% |
| CHEMBL3776 | Q14790 | Caspase-8 | 97.34% | 97.06% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.83% | 89.63% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.68% | 100.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 94.48% | 97.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.44% | 98.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.95% | 99.17% |
| CHEMBL3468 | P55210 | Caspase-7 | 91.77% | 95.68% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.88% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.52% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.09% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.66% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.18% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.08% | 96.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.91% | 96.85% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.97% | 97.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.45% | 89.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.16% | 99.35% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.30% | 97.86% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.17% | 100.00% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 81.98% | 97.29% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.82% | 94.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.62% | 90.71% |
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 | 162995533 |
| LOTUS | LTS0087716 |
| wikiData | Q104169729 |