Methyl 8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2-hydroxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
| Internal ID | 50728df9-0bb5-463c-b692-b972acb8fcaf |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | methyl 8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2-hydroxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate |
| SMILES (Canonical) | CC1(C2CCC=C(C2(C3CC1C(=O)O3)C)C(=O)OC)CC(C4(C(C(OC4OC)OC)O)O)O |
| SMILES (Isomeric) | CC1(C2CCC=C(C2(C3CC1C(=O)O3)C)C(=O)OC)CC(C4(C(C(OC4OC)OC)O)O)O |
| InChI | InChI=1S/C23H34O10/c1-21(10-14(24)23(28)16(25)19(30-4)33-20(23)31-5)12-9-15(32-18(12)27)22(2)11(17(26)29-3)7-6-8-13(21)22/h7,12-16,19-20,24-25,28H,6,8-10H2,1-5H3 |
| InChI Key | OGUZZVIJHOTFEW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O10 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of Methyl 8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2-hydroxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/c26a6ef0-863c-11ee-9d62-cb4bff5c3ce5.jpg "2D Structure of Methyl 8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2-hydroxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-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 | 98.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.96% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.92% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.50% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.74% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.63% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.20% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.41% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.66% | 95.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.33% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.42% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.65% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.48% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.92% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.37% | 97.28% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
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.
| Tinospora crispa |
| PubChem | 75149963 |
| LOTUS | LTS0136206 |
| wikiData | Q105191875 |