6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol
| Internal ID | 10c71bae-7b12-4346-a8b7-5031f6230244 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans |
| IUPAC Name | 6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)C3CCC4=C(O3)C=C(C=C4)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)[C@H]3CCC4=C(O3)C=C(C=C4)O)C |
| InChI | InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m1/s1 |
| InChI Key | QSCBHDIGHKHWKC-OAQYLSRUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6-2r-7-hydroxy-34-dihydro-2h-chromen-2-yl-22-dimethyl-7-3-methylbut-2-enylchromen-8-ol.jpg "2D Structure of 6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol")
| 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 | 99.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.34% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.28% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.92% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.72% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.92% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.49% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.83% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.53% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.39% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.41% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.26% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.69% | 93.40% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.51% | 89.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.51% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.24% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.68% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.78% | 91.03% |
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.
| Broussonetia papyrifera |
| PubChem | 137631532 |
| LOTUS | LTS0125064 |
| wikiData | Q105226852 |