2-heptyl-3,4-dihydroxy-3,7-dimethyl-4,7-dihydro-2H-furo[3,4-b]pyran-5-one
| Internal ID | 299829cd-4b52-46e8-933e-fc5cee9f729b |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 2-heptyl-3,4-dihydroxy-3,7-dimethyl-4,7-dihydro-2H-furo[3,4-b]pyran-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H26O5/c1-4-5-6-7-8-9-11-16(3,19)14(17)12-13(21-11)10(2)20-15(12)18/h10-11,14,17,19H,4-9H2,1-3H3 |
| InChI Key | VVQFDQXQOOFTTF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26O5 |
| Molecular Weight | 298.37 g/mol |
| Exact Mass | 298.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 2-heptyl-3,4-dihydroxy-3,7-dimethyl-4,7-dihydro-2H-furo[3,4-b]pyran-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-heptyl-34-dihydroxy-37-dimethyl-47-dihydro-2h-furo34-bpyran-5-one.jpg "2D Structure of 2-heptyl-3,4-dihydroxy-3,7-dimethyl-4,7-dihydro-2H-furo[3,4-b]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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.35% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.63% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.02% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.82% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.71% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.95% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.83% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.30% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.65% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.37% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.86% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.07% | 99.23% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.63% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
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 | 163066100 |
| LOTUS | LTS0211202 |
| wikiData | Q104199824 |