2-(3-Hydroxy-3-methylbutyl)-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
| Internal ID | b384ed55-2ca8-4086-80c1-492e78504553 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 2-(3-hydroxy-3-methylbutyl)-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| SMILES (Canonical) | CC(C)(CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | CC(C)(CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C19H22O4/c1-19(2,23)10-9-16-17(21)11-14(12-18(16)22)4-3-13-5-7-15(20)8-6-13/h3-8,11-12,20-23H,9-10H2,1-2H3 |
| InChI Key | RHZCTGOFHBOAFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-(3-Hydroxy-3-methylbutyl)-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-hydroxy-3-methylbutyl-5-2-4-hydroxyphenylethenylbenzene-13-diol.jpg "2D Structure of 2-(3-Hydroxy-3-methylbutyl)-5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol")
| 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 | 96.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.29% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.27% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.11% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 90.28% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.30% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.59% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.71% | 95.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.71% | 93.99% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.57% | 90.93% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.33% | 89.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.19% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.89% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.89% | 96.12% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.48% | 86.92% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.15% | 91.49% |
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.
| Bagassa guianensis |
| PubChem | 162955037 |
| LOTUS | LTS0162378 |
| wikiData | Q105236718 |