5,7-dihydroxy-6-[(2S)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 5d53e355-452a-4f38-8c57-72c62cad273a |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-6-[(2S)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@H](CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H18O6/c1-10(2)15(22)7-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-24H,1,7H2,2H3/t15-/m0/s1 |
| InChI Key | GGHDLVXWIPWSLS-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-6-[(2S)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-6-2s-2-hydroxy-3-methylbut-3-enyl-3-4-hydroxyphenylchromen-4-one.jpg "2D Structure of 5,7-dihydroxy-6-[(2S)-2-hydroxy-3-methylbut-3-enyl]-3-(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 | 99.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.43% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.12% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.92% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.60% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.74% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.36% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.45% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.59% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.40% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.10% | 86.92% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.68% | 93.10% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.53% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.48% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.27% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.08% | 91.71% |
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.
| Erythrina suberosa |
| Erythrina variegata |
| Ficus cordata |
| Genista ephedroides |
| Laburnum anagyroidis |
| Maclura pomifera |
| PubChem | 26250192 |
| LOTUS | LTS0214866 |
| wikiData | Q105008085 |