8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 0cf89000-4906-4c2a-a5b5-67d14c0f507a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | CC(C)([C@@H](CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C20H20O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,10,18,21-22,24-25H,9H2,1-2H3/t18-/m1/s1 |
| InChI Key | ANTDQLWDPMSOHB-GOSISDBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-2r-23-dihydroxy-3-methylbutyl-7-hydroxy-2-4-hydroxyphenylchromen-4-one.jpg "2D Structure of 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)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 | 99.11% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.77% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.05% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.11% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.08% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.11% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.47% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.19% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.51% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.56% | 91.49% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.40% | 97.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.22% | 90.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.50% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.26% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.29% | 97.21% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.09% | 95.71% |
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.
To see more specific details click the taxa you are interested in.
| Brosimum acutifolium |
| PubChem | 162983306 |
| LOTUS | LTS0235554 |
| wikiData | Q104915392 |