[4a,5-dihydroxy-7-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate
| Internal ID | 88d5cf21-2e1d-473a-8c64-45651d15afb9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [4a,5-dihydroxy-7-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate |
| SMILES (Canonical) | CC(=O)OC12COC=CC1(C(CC2(C)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC(=O)OC12COC=CC1(C(CC2(C)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C17H26O11/c1-8(19)27-17-7-25-4-3-16(17,24)10(20)5-15(17,2)28-14-13(23)12(22)11(21)9(6-18)26-14/h3-4,9-14,18,20-24H,5-7H2,1-2H3 |
| InChI Key | BHHBWNXFHDILDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O11 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of [4a,5-dihydroxy-7-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/61bca0e0-862a-11ee-9e8f-73c51bb6ced6.jpg "2D Structure of [4a,5-dihydroxy-7-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-7a-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.95% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.22% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.40% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.60% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.54% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.05% | 96.77% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.04% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.11% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.76% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.69% | 94.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.51% | 95.83% |
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.
| Teucrium orientale |
| PubChem | 163083604 |
| LOTUS | LTS0119209 |
| wikiData | Q104935950 |