5,7-Dihydroxy-6-(4-hydroxy-3-methylbut-2-enyl)-3-(4-hydroxyphenyl)chromen-4-one
| Internal ID | cc2f5590-276d-4a1f-985f-0d54e01f3450 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-enyl)-3-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)CO |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)CO |
| InChI | InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17-18(19(14)24)20(25)15(10-26-17)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3 |
| InChI Key | AROTXIUFXQZGLT-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 3.30 |
| There are no found synonyms. |
| 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 | 98.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.68% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.64% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.09% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.31% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.17% | 95.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.82% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.20% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.59% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.50% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.54% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.12% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.28% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 82.27% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.89% | 98.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.30% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.13% | 85.14% |
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.
| Bolusanthus speciosus |
| Glycyrrhiza glabra |
| Lupinus luteus |
| PubChem | 6805203 |
| LOTUS | LTS0165424 |
| wikiData | Q104917469 |