Methyl 5-hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
| Internal ID | 0c17e4e4-9ffa-4e74-82dc-a00190f727b2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | methyl 5-hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate |
| SMILES (Canonical) | CC12C3C(C(C1O2)O)C(=COC3OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC |
| SMILES (Isomeric) | CC12C3C(C(C1O2)O)C(=COC3OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC |
| InChI | InChI=1S/C17H24O11/c1-17-8-7(10(20)13(17)28-17)5(14(23)24-2)4-25-15(8)27-16-12(22)11(21)9(19)6(3-18)26-16/h4,6-13,15-16,18-22H,3H2,1-2H3 |
| InChI Key | VZRXACBYBGKGNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O11 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -2.60 |
| 276691-32-8 |
![2D Structure of Methyl 5-hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f64b4ea0-8350-11ee-aea5-39b3c283a67f.jpg "2D Structure of Methyl 5-hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate")
| 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 | 96.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.78% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.80% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.83% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.35% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.17% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.61% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.01% | 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.
| Phlomis rigida |
| Phlomoides rotata |
| Phlomoides tuberosa |
| PubChem | 75034076 |
| LOTUS | LTS0046753 |
| wikiData | Q105299951 |