[6-Hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] acetate
| Internal ID | 12d1029b-f65b-4f60-b7ff-c2559197edc3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [6-hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24O11/c1-6(19)25-13-12-16(2,28-12)11-15(24-4-3-17(11,13)23)27-14-10(22)9(21)8(20)7(5-18)26-14/h3-4,7-15,18,20-23H,5H2,1-2H3 |
| InChI Key | BRXLHMIHJHNCQI-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 | -2.70 |
| There are no found synonyms. |
![2D Structure of [6-Hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d0f11c80-864b-11ee-8fd2-c588ac74d6e4.jpg "2D Structure of [6-Hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.24% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.86% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.50% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.61% | 83.82% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.93% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.79% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.76% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.38% | 97.28% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.00% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.90% | 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 | 163029388 |
| LOTUS | LTS0076773 |
| wikiData | Q104945067 |