(13,17-Diacetyloxy-5-methoxy-4,7-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-12-yl)methyl acetate
| Internal ID | e9df1e9d-971e-4b37-8243-975caaf846d2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | (13,17-diacetyloxy-5-methoxy-4,7-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-12-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)COC(=O)C)C)OC |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C4C(=C3O2)C(OC4=O)OC(=O)C)OC(=O)C)COC(=O)C)C)OC |
| InChI | InChI=1S/C25H22O12/c1-9-7-15(31-6)10(2)19-16(9)23(29)36-21-14(8-32-11(3)26)20(33-12(4)27)17-18(22(21)35-19)25(34-13(5)28)37-24(17)30/h7,25H,8H2,1-6H3 |
| InChI Key | KFSMBYMSHLKNBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H22O12 |
| Molecular Weight | 514.40 g/mol |
| Exact Mass | 514.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (13,17-Diacetyloxy-5-methoxy-4,7-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-12-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ca244680-85b4-11ee-ae08-d3f2ce55c2f3.jpg "2D Structure of (13,17-Diacetyloxy-5-methoxy-4,7-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-12-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.87% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.77% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.21% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.37% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.87% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.40% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.31% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.11% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.84% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.39% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.32% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.55% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.34% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.95% | 98.75% |
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 | 163009934 |
| LOTUS | LTS0073723 |
| wikiData | Q105140540 |