3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
| Internal ID | 649259cc-7e4a-4d77-af22-ea5e493b8cff |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids |
| IUPAC Name | 3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)C=CC(=O)O)CC=C(C)CO)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)C=CC(=O)O)CC=C(C)CO)O)C |
| InChI | InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22) |
| InChI Key | HEFPIIHDRLNTDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxy-3-4-hydroxy-3-methylbut-2-enyl-5-3-methylbut-2-enylphenylprop-2-enoic-acid.jpg "2D Structure of 3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid")
| 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 | 97.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.74% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.63% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.49% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.69% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.25% | 91.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.83% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.24% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.88% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.70% | 89.34% |
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.
| Artemisia capillaris |
| Artemisia palustris |
| PubChem | 135105 |
| LOTUS | LTS0196813 |
| wikiData | Q105026813 |