(13-Hydroxy-4,13-dimethyl-9,17-dimethylidene-16-oxo-5,15-dioxatricyclo[12.3.1.04,6]octadecan-10-yl) acetate
| Internal ID | 67549c48-dd7b-4d1d-8132-9e3ed021c04c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (13-hydroxy-4,13-dimethyl-9,17-dimethylidene-16-oxo-5,15-dioxatricyclo[12.3.1.04,6]octadecan-10-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC(C2CC(CCC3(C(O3)CCC1=C)C)C(=C)C(=O)O2)(C)O |
| SMILES (Isomeric) | CC(=O)OC1CCC(C2CC(CCC3(C(O3)CCC1=C)C)C(=C)C(=O)O2)(C)O |
| InChI | InChI=1S/C22H32O6/c1-13-6-7-18-22(5,28-18)11-8-16-12-19(27-20(24)14(16)2)21(4,25)10-9-17(13)26-15(3)23/h16-19,25H,1-2,6-12H2,3-5H3 |
| InChI Key | VEGIEKPNLCORMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (13-Hydroxy-4,13-dimethyl-9,17-dimethylidene-16-oxo-5,15-dioxatricyclo[12.3.1.04,6]octadecan-10-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b15209c0-874f-11ee-a2b6-77c777a45a24.jpg "2D Structure of (13-Hydroxy-4,13-dimethyl-9,17-dimethylidene-16-oxo-5,15-dioxatricyclo[12.3.1.04,6]octadecan-10-yl) 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.62% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.48% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.37% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.88% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.93% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.16% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.75% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.58% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.16% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.32% | 91.19% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.24% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.43% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.44% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.01% | 91.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 75040002 |
| LOTUS | LTS0207251 |
| wikiData | Q105284571 |