[11-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl] 2-methylbutanoate
| Internal ID | c1b35b36-2edf-4ace-bcc2-b6166433889e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [11-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2(CC3C(CC(C2C(CO1)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)OC(=O)C3=C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2(CC3C(CC(C2C(CO1)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)OC(=O)C3=C)C |
| InChI | InChI=1S/C28H42O12/c1-7-12(2)24(33)40-27-28(6)9-16-14(4)25(34)37-17(16)8-13(3)20(28)18(10-36-27)38-26-23(32)22(31)21(30)19(39-26)11-35-15(5)29/h12-13,16-23,26-27,30-32H,4,7-11H2,1-3,5-6H3 |
| InChI Key | WPEXBINRRGEXCJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O12 |
| Molecular Weight | 570.60 g/mol |
| Exact Mass | 570.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [11-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/11cab370-8537-11ee-8b40-5d92aa50e404.jpg "2D Structure of [11-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.37% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.97% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.99% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.92% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.52% | 95.93% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.87% | 98.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.13% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.61% | 90.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.57% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.92% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.40% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.18% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.67% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.06% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.03% | 93.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.90% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.65% | 97.21% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.25% | 95.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.56% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.02% | 95.56% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.01% | 97.78% |
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.
| Hymenoxys lemmonii |
| PubChem | 14527101 |
| LOTUS | LTS0125952 |
| wikiData | Q105309839 |