Rubralactone
| Internal ID | 97a02ba9-3bd4-4cb5-a8f8-c18b4b68ab3f |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 1,6-dihydroxy-8-methoxy-1-methyl-2H-cyclopenta[c]isochromene-3,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H12O6/c1-14(18)5-9(16)12-11(14)7-3-6(19-2)4-8(15)10(7)13(17)20-12/h3-4,15,18H,5H2,1-2H3 |
| InChI Key | JIMDQSVIYNZSDI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C14H12O6 |
| Molecular Weight | 276.24 g/mol |
| Exact Mass | 276.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 0.70 |
| 1,6-dihydroxy-8-methoxy-1-methyl-2H-cyclopenta[c]isochromene-3,5-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.45% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.72% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.27% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.05% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.74% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.36% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.66% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.62% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.94% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.53% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.63% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.81% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.66% | 92.94% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.44% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.03% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.64% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.45% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.27% | 91.19% |
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 | 71593242 |
| LOTUS | LTS0076118 |
| wikiData | Q77572928 |