4-Hydroxy-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one
| Internal ID | bbddcbdc-cf83-4efb-989f-cf8d17a44578 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 4-hydroxy-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C=C1)C2=C(C(=CC3=CC=C(C=C3)O)OC2=O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C=C1)C2=C(C(=CC3=CC=C(C=C3)O)OC2=O)O)O)C |
| InChI | InChI=1S/C22H20O5/c1-13(2)3-6-15-7-8-16(12-18(15)24)20-21(25)19(27-22(20)26)11-14-4-9-17(23)10-5-14/h3-5,7-12,23-25H,6H2,1-2H3 |
| InChI Key | ZTGDSDBTYUOLEK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H20O5 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-3-3-hydroxy-4-3-methylbut-2-enylphenyl-5-4-hydroxyphenylmethylidenefuran-2-one.jpg "2D Structure of 4-Hydroxy-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one")
| 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 | 98.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.12% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.58% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.58% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.50% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.46% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.97% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.17% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.09% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.38% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.17% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.28% | 98.35% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.14% | 96.12% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.92% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.60% | 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.
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| There are no matching plants. |
| PubChem | 162851062 |
| LOTUS | LTS0024847 |
| wikiData | Q105382908 |