(13,15-Diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl) acetate
| Internal ID | a6f3b50d-2efb-4cd0-893c-85e798322375 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (13,15-diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31ClO10/c1-10-16(34-12(3)28)9-8-15-17-20(31)25(7,37-14(5)30)19(24(15,17)6)22(35-13(4)29)26(33)11(2)23(32)36-21(26)18(10)27/h8-9,11,15-19,21-22,33H,1H2,2-7H3 |
| InChI Key | JXKSDXDFYWNQBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31ClO10 |
| Molecular Weight | 539.00 g/mol |
| Exact Mass | 538.1605749 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (13,15-Diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b3bca580-829c-11ee-88f8-b1eaf29ac8f1.jpg "2D Structure of (13,15-Diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.24% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.48% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.03% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.72% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.63% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.51% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.20% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.24% | 97.28% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.67% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.25% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.08% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.87% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 3942616 |
| LOTUS | LTS0131316 |
| wikiData | Q105136615 |