[(17S)-13-acetyloxy-5-methoxy-4,7,12-trimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-17-yl] acetate
| Internal ID | bf4a072d-1a5d-4dbc-b8a5-54615badb5eb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(17S)-13-acetyloxy-5-methoxy-4,7,12-trimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-17-yl] acetate |
| SMILES (Canonical) | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C4C(=C3O2)C(OC4=O)OC(=O)C)OC(=O)C)C)C)OC |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C4C(=C3O2)[C@H](OC4=O)OC(=O)C)OC(=O)C)C)C)OC |
| InChI | InChI=1S/C23H20O10/c1-8-7-13(28-6)9(2)17-14(8)21(26)32-19-10(3)18(29-11(4)24)15-16(20(19)31-17)23(30-12(5)25)33-22(15)27/h7,23H,1-6H3/t23-/m0/s1 |
| InChI Key | LRDSRPNZXUTRCA-QHCPKHFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H20O10 |
| Molecular Weight | 456.40 g/mol |
| Exact Mass | 456.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(17S)-13-acetyloxy-5-methoxy-4,7,12-trimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-17-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/573e5a20-86c5-11ee-9aac-6986406b8cc2.jpg "2D Structure of [(17S)-13-acetyloxy-5-methoxy-4,7,12-trimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-17-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.88% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.76% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.78% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.16% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.45% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.36% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.89% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.16% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.58% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.07% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.89% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162863473 |
| LOTUS | LTS0069373 |
| wikiData | Q105156084 |