3,7-dihydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-one
| Internal ID | b1a47120-ee9d-4292-a9b0-ae8bb0eac7d4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones |
| IUPAC Name | 3,7-dihydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-one |
| SMILES (Canonical) | C1C(C(=O)C2=C(O1)C=C(C=C2)O)(C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | C1C(C(=O)C2=C(O1)C=C(C=C2)O)(C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)15(19)8-20-13-7-11(17)5-6-12(13)14(15)18/h1-7,16-17,19H,8H2 |
| InChI Key | YPKUKUGLAGJXEM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H12O5 |
| Molecular Weight | 272.25 g/mol |
| Exact Mass | 272.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.37% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.06% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.45% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.74% | 98.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.44% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.54% | 90.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.42% | 91.49% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.39% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.49% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.33% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.18% | 93.10% |
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.
| There are no matching plants. |
| PubChem | 91560782 |
| LOTUS | LTS0129865 |
| wikiData | Q104201942 |