[(1S,5S,7S,11S)-3,3,11-trimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-7-yl]methyl acetate
| Internal ID | 98a1d2a4-6eb0-447e-bd2c-b322102746ba |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | [(1S,5S,7S,11S)-3,3,11-trimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-7-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC12CC1CC(CC34C2=CC(=O)C3(O4)C)(C)C |
| SMILES (Isomeric) | CC(=O)OC[C@@]12C[C@@H]1CC(C[C@]34C2=CC(=O)[C@]3(O4)C)(C)C |
| InChI | InChI=1S/C17H22O4/c1-10(18)20-9-16-7-11(16)6-14(2,3)8-17-12(16)5-13(19)15(17,4)21-17/h5,11H,6-9H2,1-4H3/t11-,15+,16-,17-/m0/s1 |
| InChI Key | MNUBKJIAQIYXTP-FKSAFCJBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O4 |
| Molecular Weight | 290.40 g/mol |
| Exact Mass | 290.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(1S,5S,7S,11S)-3,3,11-trimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-7-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d9ce3a90-84cf-11ee-9106-7f14847f6ada.jpg "2D Structure of [(1S,5S,7S,11S)-3,3,11-trimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.05,7]dodec-8-en-7-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.82% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.87% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.91% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.68% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.01% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.18% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.96% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.92% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.23% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.14% | 95.56% |
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 subobtusa |
| PubChem | 102445402 |
| LOTUS | LTS0178907 |
| wikiData | Q105168585 |