2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methylbutanoic acid
| Internal ID | c2bd7c31-4a41-46fa-bb7a-9ad7fa935889 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids |
| IUPAC Name | 2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,23,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+ |
| InChI Key | HRDRAOYZFZZWSU-XBLVEGMJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H27NO6 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methylbutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/bdfdd6c0-85c4-11ee-8d8d-334cab9dfd24.jpg "2D Structure of 2-hydroxy-2-[[5-hydroxy-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3-oxo-2H-pyrrol-2-yl]methyl]-3-methylbutanoic 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 | 97.80% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.87% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.99% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.85% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.75% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.83% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.15% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.44% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.70% | 95.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.13% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.00% | 86.33% |
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 | 6444408 |
| LOTUS | LTS0075836 |
| wikiData | Q105109980 |