2-Carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl
| Internal ID | bdd82261-0d43-488e-8582-9af3e4cc2c98 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 2,4-dihydroxy-3-(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)C |
| InChI | InChI=1S/C20H22O4/c1-13(2)8-11-16-17(21)12-15(18(19(16)22)20(23)24)10-9-14-6-4-3-5-7-14/h3-8,12,21-22H,9-11H2,1-2H3,(H,23,24) |
| InChI Key | XEJVLJUNXHKZMT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.40 |
| 2-carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl |
| 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 | 97.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.78% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.68% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.95% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.13% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.33% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.92% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.76% | 95.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.74% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.04% | 98.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.79% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.54% | 94.45% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.36% | 100.00% |
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.
| Helichrysum umbraculigerum |
| Radula complanata |
| PubChem | 9945203 |
| LOTUS | LTS0217714 |
| wikiData | Q105326387 |