[4,5,7,12-Tetraacetyloxy-6-(acetyloxymethyl)-3-(furan-3-carbonyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl benzoate
| Internal ID | 58d5ca92-c54f-4a65-89aa-a7e42db27e40 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | [4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-3-(furan-3-carbonyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H40O17/c1-18(38)48-17-36-31(52-21(4)41)28(44)26-30(51-20(3)40)37(36,54-34(26,6)16-49-33(45)23-11-9-8-10-12-23)35(7,46)25(27(43)24-13-14-47-15-24)29(50-19(2)39)32(36)53-22(5)42/h8-15,25-26,29-32,46H,16-17H2,1-7H3 |
| InChI Key | SZUPZRSQCJMZLY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40O17 |
| Molecular Weight | 756.70 g/mol |
| Exact Mass | 756.22654980 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [4,5,7,12-Tetraacetyloxy-6-(acetyloxymethyl)-3-(furan-3-carbonyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/85f78620-85a5-11ee-be4d-1d41c97a6a89.jpg "2D Structure of [4,5,7,12-Tetraacetyloxy-6-(acetyloxymethyl)-3-(furan-3-carbonyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methyl benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.28% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.14% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.98% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.59% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.45% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.21% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.15% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.26% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.97% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.55% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.35% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.01% | 90.00% |
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.
| Euonymus sachalinensis |
| PubChem | 162913915 |
| LOTUS | LTS0137756 |
| wikiData | Q105264422 |