4,17,19-Trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid
| Internal ID | 97626701-543f-4951-b4c1-da3b66c3f8b4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 4,17,19-trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H22O9S/c1-9-3-2-4-13-16(19(26,18(24)25)8-29(13)27)17(23)15-10(6-14(22)28-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25) |
| InChI Key | XBYWGNYCVAOWKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O9S |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.09845345 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 4,17,19-Trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8c8e9460-8599-11ee-a17d-574bac692085.jpg "2D Structure of 4,17,19-Trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid")
| 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 | 97.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.25% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.18% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.02% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.01% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.74% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.41% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.32% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.58% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.64% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.73% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.23% | 91.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.58% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.40% | 80.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.48% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.04% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.67% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.44% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 162816075 |
| LOTUS | LTS0083502 |
| wikiData | Q105324834 |