(1S,4R,6R,7R,8R)-4-hydroxy-2,7-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-10-oxatricyclo[6.3.2.01,6]tridec-2-en-9-one
| Internal ID | 1562b1a9-f2c9-41c1-a5ba-b8395da53173 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1S,4R,6R,7R,8R)-4-hydroxy-2,7-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-10-oxatricyclo[6.3.2.01,6]tridec-2-en-9-one |
| SMILES (Canonical) | CC1=CC(CC2C13CCC(C2(C)CCC4=CCOC4=O)C(=O)OC3)O |
| SMILES (Isomeric) | CC1=C[C@@H](C[C@H]2[C@@]13CC[C@H]([C@]2(C)CCC4=CCOC4=O)C(=O)OC3)O |
| InChI | InChI=1S/C20H26O5/c1-12-9-14(21)10-16-19(2,6-3-13-5-8-24-17(13)22)15-4-7-20(12,16)11-25-18(15)23/h5,9,14-16,21H,3-4,6-8,10-11H2,1-2H3/t14-,15-,16+,19-,20+/m0/s1 |
| InChI Key | LGRJCFMFODXTPJ-RQOBALISSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1S,4R,6R,7R,8R)-4-hydroxy-2,7-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-10-oxatricyclo[6.3.2.01,6]tridec-2-en-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/fda202d0-859f-11ee-a057-dd2261d82801.jpg "2D Structure of (1S,4R,6R,7R,8R)-4-hydroxy-2,7-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-10-oxatricyclo[6.3.2.01,6]tridec-2-en-9-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 | 95.27% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.60% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.34% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.17% | 83.57% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.12% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.58% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.11% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.05% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.61% | 99.23% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.47% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.57% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.06% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.47% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.18% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.90% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.95% | 92.62% |
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 madrensis |
| PubChem | 162859677 |
| LOTUS | LTS0075501 |
| wikiData | Q105151548 |