2-[5-Hydroxy-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-yl]-1-benzofuran-4,6-diol
| Internal ID | e63b4221-c44d-4e64-99a9-068cb217aaae |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[5-hydroxy-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-yl]-1-benzofuran-4,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O5/c1-17(2)7-6-11-29(5)12-10-21-25(32)15-22(20(28(21)34-29)9-8-18(3)4)27-16-23-24(31)13-19(30)14-26(23)33-27/h7-8,10,12-16,30-32H,6,9,11H2,1-5H3 |
| InChI Key | CHBPBJKGYCNSLI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H32O5 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 7.70 |
| BDBM50284020 |
![2D Structure of 2-[5-Hydroxy-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-yl]-1-benzofuran-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/59eeb1c0-866d-11ee-9640-0ddabdb5dcb7.jpg "2D Structure of 2-[5-Hydroxy-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromen-7-yl]-1-benzofuran-4,6-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 | 99.65% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.81% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.52% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.35% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.59% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.20% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.15% | 98.35% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.99% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.50% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.23% | 99.35% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.22% | 91.38% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 85.56% | 97.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.57% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.07% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 81.57% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.47% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.06% | 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.
| Artocarpus lacucha |
| PubChem | 145972893 |
| LOTUS | LTS0077559 |
| wikiData | Q104958610 |