2-(12-Hydroxy-4-methyl-11-oxo-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-7-yl)prop-2-enyl acetate
| Internal ID | f85c9831-3b99-406a-9e6e-5f91c553023c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 2-(12-hydroxy-4-methyl-11-oxo-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-7-yl)prop-2-enyl acetate |
| SMILES (Canonical) | CC(=O)OCC(=C)C1CCC2(C1CC3=C(O2)C4CC(C3=O)(CO4)O)C |
| SMILES (Isomeric) | CC(=O)OCC(=C)C1CCC2(C1CC3=C(O2)C4CC(C3=O)(CO4)O)C |
| InChI | InChI=1S/C19H24O6/c1-10(8-23-11(2)20)12-4-5-18(3)14(12)6-13-16(25-18)15-7-19(22,9-24-15)17(13)21/h12,14-15,22H,1,4-9H2,2-3H3 |
| InChI Key | SNZSZUZAZMJWIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 2-(12-Hydroxy-4-methyl-11-oxo-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-7-yl)prop-2-enyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/26e3d6d0-84df-11ee-9bb9-9141f58c205a.jpg "2D Structure of 2-(12-Hydroxy-4-methyl-11-oxo-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-7-yl)prop-2-enyl acetate")
| 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 | 97.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.43% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.73% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.92% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.66% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.09% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.83% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.73% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.22% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.37% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163065471 |
| LOTUS | LTS0069076 |
| wikiData | Q104197470 |