[8-acetyloxy-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-yl] acetate
| Internal ID | c960668d-a671-463a-90b4-c7fea5818ada |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [8-acetyloxy-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C=CC2C(=O)OCC23C1C4(C(CC3)C(=O)OC(C4OC(=O)C)C5=CC(OC5=O)O)C |
| SMILES (Isomeric) | CC(=O)OC1C=CC2C(=O)OCC23C1C4(C(CC3)C(=O)OC(C4OC(=O)C)C5=CC(OC5=O)O)C |
| InChI | InChI=1S/C24H26O11/c1-10(25)32-15-5-4-14-21(29)31-9-24(14)7-6-13-22(30)35-17(12-8-16(27)34-20(12)28)19(33-11(2)26)23(13,3)18(15)24/h4-5,8,13-19,27H,6-7,9H2,1-3H3 |
| InChI Key | FVWSECMXGBTHNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O11 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of [8-acetyloxy-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/7de673a0-865c-11ee-96aa-5b0a247fb38e.jpg "2D Structure of [8-acetyloxy-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.95% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.78% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.08% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.98% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.93% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.44% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.56% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.54% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.39% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.18% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.55% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.41% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.40% | 95.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.08% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.76% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| Salvia splendens |
| PubChem | 162983117 |
| LOTUS | LTS0198906 |
| wikiData | Q105002921 |