5-hexadecyl-1H-pyrrole-2-carbaldehyde
| Internal ID | 938c165b-a1cb-4c1a-8b70-3e97f65355d2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes |
| IUPAC Name | 5-hexadecyl-1H-pyrrole-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(19-23)22-20/h17-19,22H,2-16H2,1H3 |
| InChI Key | GBHBQLGAMKIGDE-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H37NO |
| Molecular Weight | 319.50 g/mol |
| Exact Mass | 319.287514804 g/mol |
| Topological Polar Surface Area (TPSA) | 32.90 Ų |
| XlogP | 8.70 |
| SCHEMBL28220708 |
| 5-hexadecyl-1H-pyrrole-2-carbaldehyde |
| 75233-98-6 |
| 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 | 96.05% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.21% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.21% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.09% | 92.86% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.96% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.02% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.35% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.62% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.77% | 99.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.57% | 97.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.96% | 100.00% |
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 | 13451138 |
| LOTUS | LTS0056559 |
| wikiData | Q105005850 |