(1S,4R,7R,9R,10S,14R)-7-(furan-3-yl)-4-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione
| Internal ID | 2a7672b0-923b-40fd-a9ca-50f776ae80f7 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,4R,7R,9R,10S,14R)-7-(furan-3-yl)-4-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione |
| SMILES (Canonical) | CC12CC(OC(=O)C1(CCC34C2CC=CC3C(=O)OC4)O)C5=COC=C5 |
| SMILES (Isomeric) | C[C@]12C[C@@H](OC(=O)[C@]1(CC[C@]34[C@@H]2CC=C[C@H]3C(=O)OC4)O)C5=COC=C5 |
| InChI | InChI=1S/C20H22O6/c1-18-9-14(12-5-8-24-10-12)26-17(22)20(18,23)7-6-19-11-25-16(21)13(19)3-2-4-15(18)19/h2-3,5,8,10,13-15,23H,4,6-7,9,11H2,1H3/t13-,14+,15+,18+,19+,20-/m0/s1 |
| InChI Key | OAXALZWGNZKDGA-HZTOIDEUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 86.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1S,4R,7R,9R,10S,14R)-7-(furan-3-yl)-4-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/37ca7840-84b5-11ee-af5b-1dd0bfeaaa09.jpg "2D Structure of (1S,4R,7R,9R,10S,14R)-7-(furan-3-yl)-4-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.64% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.31% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.62% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.79% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.37% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.71% | 92.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.71% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.51% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.48% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.32% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.56% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.28% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.89% | 85.14% |
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.
| Salvia reflexa |
| PubChem | 10808308 |
| LOTUS | LTS0054075 |
| wikiData | Q105188875 |