[(2S)-2,3-dihydroxypropyl] 1-hydroxy-4-methylpyrrole-2-carboxylate
| Internal ID | 624e9b28-fc00-49f9-8493-a4921c3bf777 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Pyrrole carboxylic acids and derivatives |
| IUPAC Name | [(2S)-2,3-dihydroxypropyl] 1-hydroxy-4-methylpyrrole-2-carboxylate |
| SMILES (Canonical) | CC1=CN(C(=C1)C(=O)OCC(CO)O)O |
| SMILES (Isomeric) | CC1=CN(C(=C1)C(=O)OC[C@H](CO)O)O |
| InChI | InChI=1S/C9H13NO5/c1-6-2-8(10(14)3-6)9(13)15-5-7(12)4-11/h2-3,7,11-12,14H,4-5H2,1H3/t7-/m0/s1 |
| InChI Key | SXYWLZJRRKWFOC-ZETCQYMHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H13NO5 |
| Molecular Weight | 215.20 g/mol |
| Exact Mass | 215.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 91.90 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [(2S)-2,3-dihydroxypropyl] 1-hydroxy-4-methylpyrrole-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-23-dihydroxypropyl-1-hydroxy-4-methylpyrrole-2-carboxylate.jpg "2D Structure of [(2S)-2,3-dihydroxypropyl] 1-hydroxy-4-methylpyrrole-2-carboxylate")
| 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 | 98.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.46% | 89.63% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.73% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.58% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.66% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.49% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.41% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.71% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.52% | 85.14% |
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 | 14759621 |
| LOTUS | LTS0182519 |
| wikiData | Q105263423 |