[(1R,8S,9S,10S,13S)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] acetate
| Internal ID | c26400d2-8572-47f6-9c9a-c549e36d521b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [(1R,8S,9S,10S,13S)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] acetate |
| SMILES (Canonical) | CC1CCC2C3(C1(C(C4=C(C3=O)OC=C4C)OC(=O)C)C)O2 |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@@]3([C@@]1([C@@H](C4=C(C3=O)OC=C4C)OC(=O)C)C)O2 |
| InChI | InChI=1S/C17H20O5/c1-8-7-20-13-12(8)15(21-10(3)18)16(4)9(2)5-6-11-17(16,22-11)14(13)19/h7,9,11,15H,5-6H2,1-4H3/t9-,11-,15+,16-,17+/m0/s1 |
| InChI Key | XWHQCPICYIBGNB-HCFDWCBWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 69.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [(1R,8S,9S,10S,13S)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/183d9d10-8529-11ee-a064-2fa1ae0b2822.jpg "2D Structure of [(1R,8S,9S,10S,13S)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] acetate")
| 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 | 96.93% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.50% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.78% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.71% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.07% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.81% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.55% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.52% | 92.50% |
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.
| Euryops linifolius |
| PubChem | 163024446 |
| LOTUS | LTS0274524 |
| wikiData | Q105343408 |