5,12-Dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
| Internal ID | 348d92b5-e843-4bb4-88a9-680b94986b1f |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 5,12-dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one |
| SMILES (Canonical) | CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O |
| SMILES (Isomeric) | CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O |
| InChI | InChI=1S/C15H22O5/c1-8-10(16)4-15-12(3)7-19-14(18,9(12)2)6-13(8,15)5-11(17)20-15/h8-10,16,18H,4-7H2,1-3H3 |
| InChI Key | UOJOLCLAGZTOOG-UHFFFAOYSA-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) | 76.00 Ų |
| XlogP | 0.60 |
| NSC633845 |
| 5,8-Methano-3a,8a-propanofuro[2,3-d]oxepin-2(3H)-one, tetrahydro-5,10-dihydroxy-8,11,12-trimethyl- |
![2D Structure of 5,12-Dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/512-dihydroxy-21314-trimethyl-410-dioxatetracyclo533125017tetradecan-9-one.jpg "2D Structure of 5,12-Dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.51% | 89.34% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.15% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.22% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.16% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.43% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.73% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.24% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.31% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.07% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.29% | 96.95% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 80.36% | 92.67% |
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 micranthum |
| Illicium parvifolium subsp. oligandrum |
| PubChem | 494844 |
| LOTUS | LTS0085554 |
| wikiData | Q105276410 |