[4-(3-Methoxy-3-oxoprop-1-enyl)-2-(3-methylbut-2-enyl)phenyl] 3-hydroxybutanoate
| Internal ID | f5ed11df-59b7-4e0e-bc7f-b6a58ba3e57f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [4-(3-methoxy-3-oxoprop-1-enyl)-2-(3-methylbut-2-enyl)phenyl] 3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC)CC=C(C)C)O |
| SMILES (Isomeric) | CC(CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC)CC=C(C)C)O |
| InChI | InChI=1S/C19H24O5/c1-13(2)5-8-16-12-15(7-10-18(21)23-4)6-9-17(16)24-19(22)11-14(3)20/h5-7,9-10,12,14,20H,8,11H2,1-4H3 |
| InChI Key | GFMRQLQKMGDZBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [4-(3-Methoxy-3-oxoprop-1-enyl)-2-(3-methylbut-2-enyl)phenyl] 3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-methoxy-3-oxoprop-1-enyl-2-3-methylbut-2-enylphenyl-3-hydroxybutanoate.jpg "2D Structure of [4-(3-Methoxy-3-oxoprop-1-enyl)-2-(3-methylbut-2-enyl)phenyl] 3-hydroxybutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.77% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.90% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.21% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.80% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.51% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.36% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.04% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.95% | 89.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.67% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.44% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.26% | 83.82% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.08% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.38% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.80% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.28% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.23% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.69% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.09% | 100.00% |
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.
| Ozothamnus diosmifolius |
| PubChem | 163028221 |
| LOTUS | LTS0123414 |
| wikiData | Q105007645 |