4-[2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.01,6]dodec-11-en-5-yl]ethyl]-2H-furan-5-one
| Internal ID | 5fb320ab-bbff-4bb2-8e4c-405b1de6d9c9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 4-[2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.01,6]dodec-11-en-5-yl]ethyl]-2H-furan-5-one |
| SMILES (Canonical) | CC1CCC23COC(CC2C1(C)CCC4=CCOC4=O)C=C3CO |
| SMILES (Isomeric) | C[C@@H]1CC[C@]23CO[C@H](C[C@@H]2[C@@]1(C)CCC4=CCOC4=O)C=C3CO |
| InChI | InChI=1S/C20H28O4/c1-13-3-7-20-12-24-16(9-15(20)11-21)10-17(20)19(13,2)6-4-14-5-8-23-18(14)22/h5,9,13,16-17,21H,3-4,6-8,10-12H2,1-2H3/t13-,16+,17-,19+,20-/m1/s1 |
| InChI Key | XENBMCJRMNPFIU-WEDJFCISSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4-[2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.01,6]dodec-11-en-5-yl]ethyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/a8ef86e0-870c-11ee-b9a3-e151bf14275c.jpg "2D Structure of 4-[2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.01,6]dodec-11-en-5-yl]ethyl]-2H-furan-5-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.03% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.36% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.21% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.34% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.68% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.06% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.19% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.76% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.92% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.34% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.92% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.39% | 95.93% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.09% | 97.50% |
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.
| Salvia breviflora |
| Salvia melissodora |
| PubChem | 21632616 |
| LOTUS | LTS0207327 |
| wikiData | Q105326447 |