Pseudopyronine A
| Internal ID | 67b7556b-5717-4f8f-a6dc-e31b563132c4 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 5-hexyl-4-hydroxy-2-pentyl-2,3-dihydropyran-6-one |
| SMILES (Canonical) | CCCCCCC1=C(CC(OC1=O)CCCCC)O |
| SMILES (Isomeric) | CCCCCCC1=C(CC(OC1=O)CCCCC)O |
| InChI | InChI=1S/C16H28O3/c1-3-5-7-9-11-14-15(17)12-13(19-16(14)18)10-8-6-4-2/h13,17H,3-12H2,1-2H3 |
| InChI Key | KNHVGVOCIWZQPY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H28O3 |
| Molecular Weight | 268.39 g/mol |
| Exact Mass | 268.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.40 |
| pseudopyronines A |
| CHEMBL463540 |
| SCHEMBL8780206 |
| 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 | 97.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.34% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.52% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.64% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.26% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.20% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.71% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.05% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.97% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.38% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.46% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.44% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.77% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.49% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.75% | 94.73% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.52% | 96.37% |
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 | 54715089 |
| LOTUS | LTS0080982 |
| wikiData | Q75062682 |