Demethylbisorbibutenolide
| Internal ID | a9b266b4-762c-488e-823f-797d0fcb8db2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds > Beta-diketones |
| IUPAC Name | (1R,3S,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methylbicyclo[2.2.2]octane-2,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O8/c1-6-8-10-12-15(28)17-19-22(30)18(16(29)13-11-9-7-2)20(26(4,34)24(19)32)21(17)27(5)23(31)14(3)25(33)35-27/h6-13,17,19-21,29,31,34H,1-5H3/b8-6+,9-7+,12-10+,13-11+,18-16-/t17-,19+,20+,21+,26-,27-/m0/s1 |
| InChI Key | DHTXVJWDGPADRT-BXBFBQPFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H30O8 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.70 |
| RefChem:131738 |
| CHEBI:222954 |
| (1R,3S,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methylbicyclo[2.2.2]octane-2,6-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 | 95.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.01% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.89% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.87% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.27% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.42% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.51% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.24% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.09% | 96.09% |
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 | 139587691 |
| LOTUS | LTS0067127 |
| wikiData | Q77572022 |