3-Hydroxy-4-prenyl-5-methoxystilbene-2-carboxylic acid
| Internal ID | 314dbc92-b88f-4b49-9e77-804829073f4e |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-phenylethenyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)C=CC2=CC=CC=C2)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)C=CC2=CC=CC=C2)OC)C |
| InChI | InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24) |
| InChI Key | XPDYDSQPCFQSLH-UHFFFAOYSA-N |
| Popularity | 35 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
| 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 | 98.40% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.73% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 91.65% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.05% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.16% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.63% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.04% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.32% | 93.99% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.68% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.29% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.48% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.11% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.80% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.46% | 85.14% |
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.
| Cajanus cajan |
| PubChem | 78091652 |
| LOTUS | LTS0246975 |
| wikiData | Q105338220 |