(5-Benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl) benzoate
Internal ID | 409cb38c-569e-49f1-9c03-7def4f1ddb4c |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
IUPAC Name | (5-benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl) benzoate |
SMILES (Canonical) | C1C2C(C(C(C1=O)(CO2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
SMILES (Isomeric) | C1C2C(C(C(C1=O)(CO2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
InChI | InChI=1S/C21H18O7/c22-16-11-15-17(27-19(23)13-7-3-1-4-8-13)18(21(16,25)12-26-15)28-20(24)14-9-5-2-6-10-14/h1-10,15,17-18,25H,11-12H2 |
InChI Key | KESVKRQUESMENH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H18O7 |
Molecular Weight | 382.40 g/mol |
Exact Mass | 382.10525291 g/mol |
Topological Polar Surface Area (TPSA) | 99.10 Ų |
XlogP | 1.90 |
There are no found synonyms. |
![2D Structure of (5-Benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl) benzoate 2D Structure of (5-Benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo222octan-6-yl-benzoate.jpg)
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 | 95.16% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.09% | 99.23% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.74% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.65% | 86.33% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.12% | 83.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 88.32% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.73% | 90.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
CHEMBL5028 | O14672 | ADAM10 | 81.27% | 97.50% |
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.
Uvaria grandiflora |
Uvaria rufa |
PubChem | 162873190 |
LOTUS | LTS0198521 |
wikiData | Q105140177 |