[(17S)-5,13,17-triacetyloxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-4-yl]methyl acetate
| Internal ID | 946df86b-3699-472a-b0c6-d035268de3cf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | [(17S)-5,13,17-triacetyloxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-4-yl]methyl acetate |
| SMILES (Canonical) | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C4C(=C3O2)C(OC4=O)OC(=O)C)OC(=O)C)C)COC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C4C(=C3O2)[C@H](OC4=O)OC(=O)C)OC(=O)C)C)COC(=O)C)OC(=O)C |
| InChI | InChI=1S/C26H22O13/c1-9-7-16(34-12(4)28)15(8-33-11(3)27)22-17(9)24(31)38-21-10(2)20(35-13(5)29)18-19(23(21)37-22)26(36-14(6)30)39-25(18)32/h7,26H,8H2,1-6H3/t26-/m0/s1 |
| InChI Key | KUJMYTLLZNRYRQ-SANMLTNESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H22O13 |
| Molecular Weight | 542.40 g/mol |
| Exact Mass | 542.10604075 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [(17S)-5,13,17-triacetyloxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-4-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f7ee3880-86d8-11ee-9210-d9456e453128.jpg "2D Structure of [(17S)-5,13,17-triacetyloxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-4-yl]methyl 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 | 94.95% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.10% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.68% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.40% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.37% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.26% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.87% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.43% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.29% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.00% | 91.19% |
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 | 163102194 |
| LOTUS | LTS0099106 |
| wikiData | Q105146186 |