1-(3-Benzoylphenyl)ethyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate
| Internal ID | bb2c37d9-0fd1-42f0-9091-3821a62c5623 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | 1-(3-benzoylphenyl)ethyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate |
| SMILES (Canonical) | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)OC(=O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)OC(=O)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C22H24O9/c1-12(14-8-5-9-15(10-14)17(24)13-6-3-2-4-7-13)29-22(28)31-21-20(27)19(26)18(25)16(11-23)30-21/h2-10,12,16,18-21,23,25-27H,11H2,1H3 |
| InChI Key | IPFQAUNKOWALJM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O9 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 1-(3-Benzoylphenyl)ethyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-benzoylphenylethyl-345-trihydroxy-6-hydroxymethyloxan-2-yl-carbonate.jpg "2D Structure of 1-(3-Benzoylphenyl)ethyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.06% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.59% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.38% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.37% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.35% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.14% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.21% | 94.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.69% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.59% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.99% | 93.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.62% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.91% | 94.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.31% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.16% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.70% | 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.
| Panax ginseng |
| PubChem | 163012290 |
| LOTUS | LTS0064093 |
| wikiData | Q105117222 |