(6-Acetyloxy-5-benzoyloxy-3-chloro-4-hydroxycyclohexen-1-yl)methyl benzoate
| Internal ID | 6edca690-d7ac-475b-9b64-4efd934b3231 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | (6-acetyloxy-5-benzoyloxy-3-chloro-4-hydroxycyclohexen-1-yl)methyl benzoate |
| SMILES (Canonical) | CC(=O)OC1C(C(C(C=C1COC(=O)C2=CC=CC=C2)Cl)O)OC(=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC(=O)OC1C(C(C(C=C1COC(=O)C2=CC=CC=C2)Cl)O)OC(=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C23H21ClO7/c1-14(25)30-20-17(13-29-22(27)15-8-4-2-5-9-15)12-18(24)19(26)21(20)31-23(28)16-10-6-3-7-11-16/h2-12,18-21,26H,13H2,1H3 |
| InChI Key | CAABTNRNYPEXCM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H21ClO7 |
| Molecular Weight | 444.90 g/mol |
| Exact Mass | 444.0975807 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.95% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.65% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.46% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.11% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.42% | 99.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.11% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.14% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.55% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.92% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.83% | 97.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.82% | 92.51% |
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 calamistrata |
| PubChem | 75229756 |
| LOTUS | LTS0022191 |
| wikiData | Q104950801 |