WB 3559 C
| Internal ID | 5b2495f9-bb9c-46c7-a0ed-8cb241c28ccf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H68N2O7/c1-29(2)22-18-14-10-6-5-7-13-17-21-25-35(42)45-31(24-20-16-12-9-8-11-15-19-23-30(3)4)26-33(40)37-27-34(41)38-32(28-39)36(43)44/h29-32,39H,5-28H2,1-4H3,(H,37,40)(H,38,41)(H,43,44)/t31-,32+/m1/s1 |
| InChI Key | SGQHHKMEFFGXAS-ZWXJPIIXSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C36H68N2O7 |
| Molecular Weight | 640.90 g/mol |
| Exact Mass | 640.50265251 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 10.60 |
| 96095-05-5 |
| L-Serine, N-(N-(14-methyl-3-((13-methyl-1-oxotetradecyl)oxy)-1-oxopentadecyl)glycyl)-, (R)- |
| WB-3559C |
| DTXSID70914665 |
| WB-3559 C |
| AKOS040754407 |
| (2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid |
| N-[1-Hydroxy-2-({1-hydroxy-14-methyl-3-[(13-methyltetradecanoyl)oxy]pentadecylidene}amino)ethylidene]serine |
| 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 | 98.76% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.03% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.42% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.84% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.40% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.08% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.21% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.95% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.92% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.58% | 89.63% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 89.98% | 96.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.08% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.85% | 92.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.69% | 90.20% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.63% | 85.31% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.93% | 89.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.17% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.09% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.54% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.77% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.53% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.26% | 96.25% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.86% | 86.67% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.26% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.18% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.05% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.75% | 96.95% |
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 | 125880 |
| LOTUS | LTS0135241 |
| wikiData | Q77280567 |