5-(2,3-Dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
| Internal ID | bbd0bfd6-54f9-4278-8896-f12f110313f1 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 5-(2,3-dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H21NO5/c1-23-17(16(22)11-20)15-7-4-13(10-19)18(15)9-8-12-2-5-14(21)6-3-12/h2-7,10,16-17,20-22H,8-9,11H2,1H3 |
| InChI Key | BRXGBJMQZQFKJV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 91.90 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 5-(2,3-Dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/5-23-dihydroxy-1-methoxypropyl-1-2-4-hydroxyphenylethylpyrrole-2-carbaldehyde.jpg "2D Structure of 5-(2,3-Dihydroxy-1-methoxypropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde")
| 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 | 98.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.35% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.20% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.33% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.92% | 94.45% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 85.92% | 91.96% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.88% | 97.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.50% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.39% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.19% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.98% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.34% | 91.71% |
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 | 162853984 |
| LOTUS | LTS0036547 |
| wikiData | Q103816962 |