(3S)-2-[(2R,3S)-2-[(2S)-1-[(2S,4S)-2,4-dimethyloctanoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoic acid
| Internal ID | 45e2ac23-a1ea-473e-8cf3-7d568dead136 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | (3S)-2-[(2R,3S)-2-[(2S)-1-[(2S,4S)-2,4-dimethyloctanoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17-,18-,19-,20-,21-,22?,23+/m0/s1 |
| InChI Key | LWUJNFXMOSWRGO-KNBUPHPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H47NO7 |
| Molecular Weight | 497.70 g/mol |
| Exact Mass | 497.33525284 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of (3S)-2-[(2R,3S)-2-[(2S)-1-[(2S,4S)-2,4-dimethyloctanoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/unk-pro-d-oaile-dl-oile-oh.jpg "2D Structure of (3S)-2-[(2R,3S)-2-[(2S)-1-[(2S,4S)-2,4-dimethyloctanoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoic 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 | 98.92% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.18% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.72% | 95.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.52% | 98.10% |
| CHEMBL268 | P43235 | Cathepsin K | 93.40% | 96.85% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.36% | 97.25% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 92.69% | 98.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.50% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.11% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.72% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.52% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.12% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.79% | 90.71% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.58% | 92.12% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.84% | 91.19% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.73% | 90.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.60% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.53% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.46% | 99.18% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.82% | 91.81% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.91% | 95.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 85.61% | 95.52% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.71% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.51% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 83.37% | 97.50% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 82.79% | 98.77% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.74% | 94.66% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.50% | 92.86% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.04% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.90% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.62% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.15% | 95.50% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 80.75% | 90.65% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.04% | 89.63% |
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 | 163189997 |
| LOTUS | LTS0228807 |
| wikiData | Q104246367 |