[(1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 93b8657a-8c7e-431c-968c-050317a7c242 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [(1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H20O6/c19-12-4-1-11(2-5-12)3-6-15(20)24-14-9-18(21)10-23-17-16(18)13(14)7-8-22-17/h1-6,13-14,16-17,19,21H,7-10H2/b6-3-/t13-,14+,16+,17+,18+/m0/s1 |
| InChI Key | KPWKPPYUQLHPDZ-YKODBGQOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [(1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/ab6141d0-8660-11ee-a9a2-9111713d887d.jpg "2D Structure of [(1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 98.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.64% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.73% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.90% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.76% | 92.94% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.42% | 94.23% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 89.13% | 94.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.99% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.18% | 90.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.48% | 89.67% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.68% | 94.08% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.59% | 97.53% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.07% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.04% | 97.28% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.97% | 85.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.78% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.73% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.34% | 94.62% |
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 ovata |
| PubChem | 11393413 |
| LOTUS | LTS0025899 |
| wikiData | Q105144413 |