(5-Oxo-1,4-dioxacyclotritriacont-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | a58e27cf-6a51-4d91-8c6e-5e54a7377f56 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (5-oxo-1,4-dioxacyclotritriacont-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)O |
| InChI | InChI=1S/C42H70O7/c1-46-40-34-37(29-31-39(40)43)30-32-42(45)49-36-38-35-48-41(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-33-47-38/h29-32,34,38,43H,2-28,33,35-36H2,1H3 |
| InChI Key | MTXXWFXUHBQQIU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H70O7 |
| Molecular Weight | 687.00 g/mol |
| Exact Mass | 686.51215457 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
| 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 | 99.32% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.38% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.86% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.38% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.79% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.37% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.75% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.49% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.62% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 83.81% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.71% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.94% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.74% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.10% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.18% | 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.
| Carex distachya |
| PubChem | 75025452 |
| LOTUS | LTS0218807 |
| wikiData | Q105171971 |