3,4,5-Trihydroxy-6-[(6-hydroxy-4,7-diphenyl-1,3-benzothiazol-5-yl)oxy]oxane-2-carboxylic acid
| Internal ID | cbf431e2-fbce-4593-bfd3-fdc4ef824f11 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | 3,4,5-trihydroxy-6-[(6-hydroxy-4,7-diphenyl-1,3-benzothiazol-5-yl)oxy]oxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H21NO8S/c27-17-15(13-9-5-2-6-10-13)23-16(26-11-35-23)14(12-7-3-1-4-8-12)21(17)33-25-20(30)18(28)19(29)22(34-25)24(31)32/h1-11,18-20,22,25,27-30H,(H,31,32) |
| InChI Key | XQEMVDKXSBBLLC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H21NO8S |
| Molecular Weight | 495.50 g/mol |
| Exact Mass | 495.09878780 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 3,4,5-Trihydroxy-6-[(6-hydroxy-4,7-diphenyl-1,3-benzothiazol-5-yl)oxy]oxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/345-trihydroxy-6-6-hydroxy-47-diphenyl-13-benzothiazol-5-yloxyoxane-2-carboxylic-acid.jpg "2D Structure of 3,4,5-Trihydroxy-6-[(6-hydroxy-4,7-diphenyl-1,3-benzothiazol-5-yl)oxy]oxane-2-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 | 97.05% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.23% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.26% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.86% | 99.23% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.17% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.51% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.48% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.38% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.56% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.34% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.21% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.68% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.46% | 91.49% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.96% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.18% | 94.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.26% | 94.23% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.23% | 96.47% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.44% | 83.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.42% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.73% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162860845 |
| LOTUS | LTS0024282 |
| wikiData | Q104201237 |