11-Oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl-
| Internal ID | 22e1ab11-014d-45e7-98a6-c0555d872557 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 5,9,9-trimethyl-11-oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione |
| SMILES (Canonical) | CC1CCCC2=CC(C(CCC1=O)(C)C)OC2=O |
| SMILES (Isomeric) | CC1CCCC2=CC(C(CCC1=O)(C)C)OC2=O |
| InChI | InChI=1S/C15H22O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h9-10,13H,4-8H2,1-3H3 |
| InChI Key | LLGOQLGIEBQDFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.00 |
| 334537-11-0 |
| MEGxp0_001099 |
| ACon1_001202 |
| DTXSID50441808 |
| 5,9,9-trimethyl-11-oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione |
| NCGC00169579-01 |
| BRD-A51813005-001-01-4 |
![2D Structure of 11-Oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/11-oxabicyclo821tridec-113-ene-612-dione-599-trimethyl-.jpg "2D Structure of 11-Oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl-")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.12% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.04% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.65% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.32% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.50% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.43% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.33% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.43% | 86.33% |
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.
| Asteriscus daltonii subsp. vogelii |
| PubChem | 10562648 |
| LOTUS | LTS0192462 |
| wikiData | Q82258759 |