2-Hydroxy-4-methoxy-3-(3-methylbutyl)-6-(2-phenylethyl)benzoic acid
| Internal ID | 45994470-4de7-4d4d-9b9b-8192419847a9 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-(2-phenylethyl)benzoic acid |
| SMILES (Canonical) | CC(C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC |
| SMILES (Isomeric) | CC(C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC |
| InChI | InChI=1S/C21H26O4/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/h4-8,13-14,22H,9-12H2,1-3H3,(H,23,24) |
| InChI Key | MEHAVUPWRLUIQY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.00 |
| CHEMBL4777946 |
| YFE |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.57% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.08% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.33% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.83% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.78% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.81% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.38% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.65% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.04% | 94.45% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 84.80% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.55% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.14% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.78% | 90.71% |
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 | 10132170 |
| LOTUS | LTS0244364 |
| wikiData | Q105162230 |