(2R)-2-[(E,7Z)-7-[(6R)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4-methylhept-3-enyl]-2,6-dimethylchromene-5,8-dione
| Internal ID | 9ff5b97c-fdd8-43f6-ac58-23906a892b93 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (2R)-2-[(E,7Z)-7-[(6R)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4-methylhept-3-enyl]-2,6-dimethylchromene-5,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34O6/c1-17(8-6-10-19-11-12-22(26(3,4)31)32-25(19)30)9-7-14-27(5)15-13-20-23(29)18(2)16-21(28)24(20)33-27/h9-10,13,15-16,22,31H,6-8,11-12,14H2,1-5H3/b17-9+,19-10-/t22-,27-/m1/s1 |
| InChI Key | OIQBXXKIEISZRJ-QGTFVXKBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34O6 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(E,7Z)-7-[(6R)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4-methylhept-3-enyl]-2,6-dimethylchromene-5,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ae78ff70-85c1-11ee-8c3a-e7c2adcff6d8.jpg "2D Structure of (2R)-2-[(E,7Z)-7-[(6R)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-4-methylhept-3-enyl]-2,6-dimethylchromene-5,8-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 | 97.88% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.80% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.55% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.79% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.65% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.50% | 92.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.27% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.31% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.23% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.80% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.58% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.19% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.90% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.24% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.83% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.53% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.46% | 89.34% |
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 | 162870052 |
| LOTUS | LTS0218789 |
| wikiData | Q105192666 |