9-(2-hexyl-5-oxo-2H-furan-4-yl)-3-hydroxy-7-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-1-oxo-2-oxaspiro[4.4]nonane-9-carboxylic acid
| Internal ID | 4b7b6d75-19d6-4860-9380-c3f0b405f071 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | 9-(2-hexyl-5-oxo-2H-furan-4-yl)-3-hydroxy-7-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-1-oxo-2-oxaspiro[4.4]nonane-9-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O10/c1-2-3-4-5-7-15-10-16(21(29)33-15)25(22(30)31)12-14(11-24(25)13-19(27)35-23(24)32)20(28)17-8-6-9-18(26)34-17/h6,9-10,14-15,17,19-20,27-28H,2-5,7-8,11-13H2,1H3,(H,30,31) |
| InChI Key | RJRXDHSARHBDNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O10 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 9-(2-hexyl-5-oxo-2H-furan-4-yl)-3-hydroxy-7-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-1-oxo-2-oxaspiro[4.4]nonane-9-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ae746500-8705-11ee-978e-af872ab5031c.jpg "2D Structure of 9-(2-hexyl-5-oxo-2H-furan-4-yl)-3-hydroxy-7-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-1-oxo-2-oxaspiro[4.4]nonane-9-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.07% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.40% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.69% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.15% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.04% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.53% | 93.56% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 85.56% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.03% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.91% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.85% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.38% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.80% | 90.08% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.78% | 80.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.44% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.21% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.11% | 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.
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| There are no matching plants. |
| PubChem | 139584246 |
| LOTUS | LTS0083188 |
| wikiData | Q77281428 |