6-(1-Amino-15-methyl-1-oxohexadecan-3-yl)oxy-5-[(3-hydroxy-14-methylpentadecanoyl)amino]-6-oxohexanoic acid
| Internal ID | 787cb9cb-2098-49fe-9884-cfc627b5d1d1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | 6-(1-amino-15-methyl-1-oxohexadecan-3-yl)oxy-5-[(3-hydroxy-14-methylpentadecanoyl)amino]-6-oxohexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H74N2O7/c1-31(2)23-18-14-10-6-5-7-13-17-21-26-34(30-36(40)43)48-39(47)35(27-22-28-38(45)46)41-37(44)29-33(42)25-20-16-12-9-8-11-15-19-24-32(3)4/h31-35,42H,5-30H2,1-4H3,(H2,40,43)(H,41,44)(H,45,46) |
| InChI Key | MFXGXWREXQFLMA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H74N2O7 |
| Molecular Weight | 683.00 g/mol |
| Exact Mass | 682.54960270 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of 6-(1-Amino-15-methyl-1-oxohexadecan-3-yl)oxy-5-[(3-hydroxy-14-methylpentadecanoyl)amino]-6-oxohexanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/57dd6c00-8653-11ee-9c4b-b9bd48818ecd.jpg "2D Structure of 6-(1-Amino-15-methyl-1-oxohexadecan-3-yl)oxy-5-[(3-hydroxy-14-methylpentadecanoyl)amino]-6-oxohexanoic acid")
| 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 | 97.84% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.20% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.46% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.41% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.87% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.58% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.20% | 96.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.95% | 92.26% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.47% | 97.21% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.46% | 97.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.62% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.53% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.44% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.34% | 90.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.21% | 97.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.82% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.79% | 91.19% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.26% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.14% | 89.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.97% | 98.05% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.60% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.95% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.28% | 92.29% |
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 | 85047746 |
| LOTUS | LTS0080588 |
| wikiData | Q104171661 |