4-Hydroxy-3,5-diprenylcinnamic acid
| Internal ID | fc2b2b25-98a2-4806-90a1-df3d4ea90c2b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids |
| IUPAC Name | 3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid |
| SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C |
| InChI | InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21) |
| InChI Key | KABCFARPAMSXCC-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C19H24O3 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.40 |
| NCI60_040915 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 |
680 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.66% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.66% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.80% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.36% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.18% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.65% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.83% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.10% | 89.00% |
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.
| Artemisia capillaris |
| Artemisia palustris |
| Baccharis polyphylla |
| PubChem | 126315 |
| LOTUS | LTS0206414 |
| wikiData | Q105137761 |