(1S,2R,5S,6S,10R,13S)-5,10-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
| Internal ID | e58edb0a-d5a4-4476-8b73-d42fb08a8b13 |
| Taxonomy | Organoheterocyclic compounds > Lactones |
| IUPAC Name | (1S,2R,5S,6S,10R,13S)-5,10-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O5/c1-8-4-5-15(19)13(3)7-20-12(18)11(17)14(8,15)6-10(16)9(13)2/h8-9,11,17,19H,4-7H2,1-3H3/t8-,9-,11+,13-,14+,15+/m1/s1 |
| InChI Key | SVTDJVVJBFZOHO-LQZKFIQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.33 g/mol |
| Exact Mass | 282.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5S,6S,10R,13S)-5,10-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r5s6s10r13s-510-dihydroxy-2613-trimethyl-8-oxatricyclo443015tridecane-912-dione.jpg "2D Structure of (1S,2R,5S,6S,10R,13S)-5,10-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione")
| 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 | 96.65% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.53% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.48% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.85% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.02% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.66% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.38% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.32% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.54% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.00% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.84% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.51% | 94.75% |
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.
| Illicium merrillianum |
| Strychnos kasengaensis |
| Strychnos variabilis |
| PubChem | 12046000 |
| LOTUS | LTS0168432 |
| wikiData | Q105132882 |