5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | d90344b4-c532-413e-b789-aa5290d89bd2 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=C)C(CC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)O |
| InChI | InChI=1S/C25H24O6/c1-13(2)19(27)11-17-21(28)20-22(29)18(14-5-7-15(26)8-6-14)12-30-24(20)16-9-10-25(3,4)31-23(16)17/h5-10,12,19,26-28H,1,11H2,2-4H3/t19-/m1/s1 |
| InChI Key | KOYTWDRAYNCQMX-LJQANCHMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/0b3e5810-8578-11ee-b175-9fedbcff9c76.jpg "2D Structure of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.61% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.58% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.96% | 98.35% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.63% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.17% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.98% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.05% | 96.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.17% | 97.28% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.20% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.94% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.32% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.12% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.23% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.67% | 99.17% |
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.
| Erythrina variegata |
| Euchresta horsfieldii |
| PubChem | 163015412 |
| LOTUS | LTS0066878 |
| wikiData | Q105144055 |