(1R,6S,7S,11S,12R)-6-acetyl-12-hydroxy-6,11-dimethyl-4,8-dioxatricyclo[5.3.3.01,7]tridecane-3,9-dione
| Internal ID | 374f8698-6e70-44b4-a565-1f708f1fbbd5 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (1R,6S,7S,11S,12R)-6-acetyl-12-hydroxy-6,11-dimethyl-4,8-dioxatricyclo[5.3.3.01,7]tridecane-3,9-dione |
| SMILES (Canonical) | CC1C(CC23C1(CC(=O)OCC2(C)C(=O)C)CC(=O)O3)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](C[C@]23[C@]1(CC(=O)OC[C@]2(C)C(=O)C)CC(=O)O3)O |
| InChI | InChI=1S/C15H20O6/c1-8-10(17)4-15-13(3,9(2)16)7-20-11(18)5-14(8,15)6-12(19)21-15/h8,10,17H,4-7H2,1-3H3/t8-,10-,13-,14-,15-/m1/s1 |
| InChI Key | IZVMWKVZZREEBH-KJSNTGEHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O6 |
| Molecular Weight | 296.31 g/mol |
| Exact Mass | 296.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1R,6S,7S,11S,12R)-6-acetyl-12-hydroxy-6,11-dimethyl-4,8-dioxatricyclo[5.3.3.01,7]tridecane-3,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ddbe6e70-86d1-11ee-bed8-719c3c14116d.jpg "2D Structure of (1R,6S,7S,11S,12R)-6-acetyl-12-hydroxy-6,11-dimethyl-4,8-dioxatricyclo[5.3.3.01,7]tridecane-3,9-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.08% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.63% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.95% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.50% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.99% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.13% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.53% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.97% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.30% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.08% | 97.09% |
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 |
| PubChem | 11781425 |
| LOTUS | LTS0091789 |
| wikiData | Q105123527 |