Methyl 10-hydroxy-5-methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-8-ene-8-carboxylate
| Internal ID | e1141544-2eed-4bd0-82ba-415e8562ae58 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | methyl 10-hydroxy-5-methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-8-ene-8-carboxylate |
| SMILES (Canonical) | CC(C)C1CCC2(C13C(C=C(C(C2)OO3)C(=O)OC)O)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C13C(C=C(C(C2)OO3)C(=O)OC)O)C |
| InChI | InChI=1S/C16H24O5/c1-9(2)11-5-6-15(3)8-12-10(14(18)19-4)7-13(17)16(11,15)21-20-12/h7,9,11-13,17H,5-6,8H2,1-4H3 |
| InChI Key | BZODLVUNDCEFAE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O5 |
| Molecular Weight | 296.36 g/mol |
| Exact Mass | 296.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of Methyl 10-hydroxy-5-methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-8-ene-8-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-10-hydroxy-5-methyl-2-propan-2-yl-1112-dioxatricyclo532015dodec-8-ene-8-carboxylate.jpg "2D Structure of Methyl 10-hydroxy-5-methyl-2-propan-2-yl-11,12-dioxatricyclo[5.3.2.01,5]dodec-8-ene-8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.65% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.36% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.85% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.74% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.64% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.65% | 92.62% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.55% | 85.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.03% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.73% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.42% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.10% | 97.50% |
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.
| Rosa rugosa |
| PubChem | 14878562 |
| LOTUS | LTS0072224 |
| wikiData | Q104950602 |