[3-Methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,2,4,5,6-pentahydroxyhexan-3-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate
| Internal ID | bd696d9a-cfb8-453e-8039-e74c55834b1a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,2,4,5,6-pentahydroxyhexan-3-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H64O16/c1-11-18(6)25(41)32(43)48-27(19(7)12-2)33(44)49-28(20(8)13-3)34(45)50-29(21(9)14-4)35(46)51-30(22(10)15-5)36(47)52-31(24(40)17-38)26(42)23(39)16-37/h18-31,37-42H,11-17H2,1-10H3 |
| InChI Key | DFLORPPTEZTVAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H64O16 |
| Molecular Weight | 752.90 g/mol |
| Exact Mass | 752.41943595 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [3-Methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,2,4,5,6-pentahydroxyhexan-3-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f00a1960-873e-11ee-8c1c-43f8c22df23f.jpg "2D Structure of [3-Methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,2,4,5,6-pentahydroxyhexan-3-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.42% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.91% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.15% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.84% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.12% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.87% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.47% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.08% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.55% | 99.17% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.51% | 98.57% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.55% | 96.47% |
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 | 162815914 |
| LOTUS | LTS0087635 |
| wikiData | Q103818338 |