(1S,5S,7R,12R)-3,3,7,12-tetramethyl-11,13-dioxatetracyclo[6.5.0.01,12.05,7]tridec-8-en-10-one
| Internal ID | 76dff79d-d230-494e-abec-1ab053a551b4 |
| Taxonomy | Organoheterocyclic compounds > Epoxides > Enol ester epoxides |
| IUPAC Name | (1S,5S,7R,12R)-3,3,7,12-tetramethyl-11,13-dioxatetracyclo[6.5.0.01,12.05,7]tridec-8-en-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O3/c1-12(2)6-9-7-13(9,3)10-5-11(16)17-14(4)15(10,8-12)18-14/h5,9H,6-8H2,1-4H3/t9-,13+,14-,15-/m0/s1 |
| InChI Key | HSCIYWCSFZTNLU-FLCCKXIQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1S,5S,7R,12R)-3,3,7,12-tetramethyl-11,13-dioxatetracyclo[6.5.0.01,12.05,7]tridec-8-en-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s5s7r12r-33712-tetramethyl-1113-dioxatetracyclo6500112057tridec-8-en-10-one.jpg "2D Structure of (1S,5S,7R,12R)-3,3,7,12-tetramethyl-11,13-dioxatetracyclo[6.5.0.01,12.05,7]tridec-8-en-10-one")
| 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 | 94.79% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.83% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.32% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.43% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.65% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.96% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.83% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.94% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.01% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.83% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.29% | 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.
| Porella swartziana |
| PubChem | 11482038 |
| LOTUS | LTS0076316 |
| wikiData | Q105032964 |