3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxy-2-methoxy-6-(2-phenylethyl)benzoic acid
| Internal ID | 165fe51f-15df-43ad-8664-688ba7c139eb |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-2-methoxy-6-(2-phenylethyl)benzoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C(=C1OC)C(=O)O)CCC2=CC=CC=C2)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=C(C(=C1OC)C(=O)O)CCC2=CC=CC=C2)O)C)C |
| InChI | InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(27)17-21(24(26(28)29)25(22)30-4)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29) |
| InChI Key | FWWXZTJGBMXIDI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O4 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.82% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.20% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.58% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.49% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.37% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.92% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.66% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.69% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.04% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.66% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.21% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.36% | 97.21% |
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.
| Amorpha fruticosa |
| PubChem | 74392278 |
| LOTUS | LTS0115306 |
| wikiData | Q105003680 |