[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate
| Internal ID | 2e348d9a-91fc-4f5f-91dd-ecd8b12dcebe |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [5-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O |
| InChI | InChI=1S/C22H26O11/c23-8-12-15(25)16(26)17(27)21(31-12)32-20-13-11(6-7-29-20)14(24)18-22(13,33-18)9-30-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2 |
| InChI Key | JADZPWILSJVZBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O11 |
| Molecular Weight | 466.40 g/mol |
| Exact Mass | 466.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of [5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/fc44eb80-8815-11ee-8316-8d66b2c2341a.jpg "2D Structure of [5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.52% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.63% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.23% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.88% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.18% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.82% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.50% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.78% | 96.61% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.77% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.42% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.63% | 91.49% |
| CHEMBL5028 | O14672 | ADAM10 | 82.78% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.67% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.75% | 99.17% |
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.
| Globularia bisnagarica |
| Globularia davisiana |
| Globularia dumulosa |
| Globularia orientalis |
| Penstemon auriberbis |
| Pinguicula moranensis |
| Plantago hookeriana |
| Plantago patagonica |
| PubChem | 74192690 |
| LOTUS | LTS0068112 |
| wikiData | Q105123704 |