[(1S,4S,5S,6S,7R,9R,11S)-5,9-diethoxy-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate
| Internal ID | e54b945e-05c4-4b43-bb05-fc78dd017f17 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | [(1S,4S,5S,6S,7R,9R,11S)-5,9-diethoxy-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O8/c1-3-24-14-9-13-15-19(27-14)26-10-20(15,23)17(25-4-2)16(13)28-18(22)11-5-7-12(21)8-6-11/h5-8,13-17,19,21,23H,3-4,9-10H2,1-2H3/t13-,14-,15-,16+,17+,19+,20-/m1/s1 |
| InChI Key | RHGSFCCCOFIJLD-HXBCMNQYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O8 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [(1S,4S,5S,6S,7R,9R,11S)-5,9-diethoxy-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/b074a710-869c-11ee-821f-23ee35a90612.jpg "2D Structure of [(1S,4S,5S,6S,7R,9R,11S)-5,9-diethoxy-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.97% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.06% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.62% | 97.21% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.87% | 98.35% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.70% | 90.24% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.52% | 95.64% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.01% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.46% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.77% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.51% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.61% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.47% | 92.94% |
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.
| Catalpa speciosa |
| PubChem | 162848535 |
| LOTUS | LTS0204062 |
| wikiData | Q105236344 |