3-[4-Hydroxy-3-(4-hydroxy-3,7-dimethylocta-2,6-dienyl)phenyl]prop-2-enoic acid
| Internal ID | db40b895-18c0-4196-b4bc-f2d7c2f54047 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids |
| IUPAC Name | 3-[4-hydroxy-3-(4-hydroxy-3,7-dimethylocta-2,6-dienyl)phenyl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24O4/c1-13(2)4-9-17(20)14(3)5-8-16-12-15(6-10-18(16)21)7-11-19(22)23/h4-7,10-12,17,20-21H,8-9H2,1-3H3,(H,22,23) |
| InChI Key | WYHKSOWWTIBYGB-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 | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[4-Hydroxy-3-(4-hydroxy-3,7-dimethylocta-2,6-dienyl)phenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-hydroxy-3-4-hydroxy-37-dimethylocta-26-dienylphenylprop-2-enoic-acid.jpg "2D Structure of 3-[4-Hydroxy-3-(4-hydroxy-3,7-dimethylocta-2,6-dienyl)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 | 98.91% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.05% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.68% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.59% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.62% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.51% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.09% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.30% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.97% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.18% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.65% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.44% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.02% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.72% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.93% | 95.50% |
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.
| Lorandersonia pulchella |
| PubChem | 162891471 |
| LOTUS | LTS0052983 |
| wikiData | Q105322207 |