3,4-dihydroxy-2-methyl-7-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
| Internal ID | 9bf397a4-392a-4e13-9b42-6bd41cdbd609 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 3,4-dihydroxy-2-methyl-7-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one |
| SMILES (Canonical) | CCCC1=CC2=C(C(C(C(O2)C)O)O)C(=O)O1 |
| SMILES (Isomeric) | CCCC1=CC2=C(C(C(C(O2)C)O)O)C(=O)O1 |
| InChI | InChI=1S/C12H16O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h5-6,10-11,13-14H,3-4H2,1-2H3 |
| InChI Key | RGNMEAQLEFNCEC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.25 g/mol |
| Exact Mass | 240.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 3,4-dihydroxy-2-methyl-7-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/34-dihydroxy-2-methyl-7-propyl-34-dihydro-2h-pyrano32-cpyran-5-one.jpg "2D Structure of 3,4-dihydroxy-2-methyl-7-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one")
| 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 | 92.65% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.35% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.04% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.28% | 90.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.03% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.23% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.14% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.30% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.25% | 89.34% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.78% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.11% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.01% | 99.17% |
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 | 75528797 |
| LOTUS | LTS0123129 |
| wikiData | Q104196575 |