2-[7-Hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-(2-methylbut-3-en-2-yl)-1-benzofuran-4,6-diol
| Internal ID | 1f510c8e-2bed-473e-83d3-a9322f4e47e5 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[7-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-(2-methylbut-3-en-2-yl)-1-benzofuran-4,6-diol |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC(CC2)(C)C)C3=CC4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC(CC2)(C)C)C3=CC4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)C |
| InChI | InChI=1S/C29H34O5/c1-8-28(4,5)26-22(32)14-20(30)19-13-24(33-27(19)26)25-17(10-9-16(2)3)21(31)15-23-18(25)11-12-29(6,7)34-23/h8-9,13-15,30-32H,1,10-12H2,2-7H3 |
| InChI Key | JAEQKNCCHRCCAE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O5 |
| Molecular Weight | 462.60 g/mol |
| Exact Mass | 462.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 2-[7-Hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-(2-methylbut-3-en-2-yl)-1-benzofuran-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/60525650-8607-11ee-8bd5-810f859c7f0a.jpg "2D Structure of 2-[7-Hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-7-(2-methylbut-3-en-2-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 | 99.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.39% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.93% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.56% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.58% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.28% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.06% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.27% | 93.40% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 84.20% | 97.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.68% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.32% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.02% | 92.62% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.74% | 92.50% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.52% | 92.68% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.23% | 99.43% |
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 petelotii |
| PubChem | 101774144 |
| LOTUS | LTS0097154 |
| wikiData | Q105123713 |