2,3,4-Trihydroxybutyl cinnamate
| Internal ID | 29cea8af-cc65-40b5-b546-32a575f7b261 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | 2,3,4-trihydroxybutyl (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H16O5/c14-8-11(15)12(16)9-18-13(17)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-16H,8-9H2/b7-6+ |
| InChI Key | HNMDBCIBTWJOCM-VOTSOKGWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.26 g/mol |
| Exact Mass | 252.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 0.30 |
| 2,3,4-trihydroxybutyl (E)-3-phenylprop-2-enoate |
| RefChem:81324 |
| 2,3,4-Trihydroxybutyl cinnamic acid |
| 2,3,4-Trihydroxybutyl (2E)-3-phenylprop-2-enoic acid |
| CHEBI:208805 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.16% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.92% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.66% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.11% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.39% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.36% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.20% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.55% | 90.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.71% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.31% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.10% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.33% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 146683051 |
| LOTUS | LTS0128318 |
| wikiData | Q105030938 |