3,5,7-trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-4-one
| Internal ID | be5cfebe-ea54-4918-8afc-0f693357d978 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | 3,5,7-trihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-4-one |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O |
| InChI | InChI=1S/C16H14O7/c1-22-9-2-3-10(11(18)6-9)16(21)7-23-13-5-8(17)4-12(19)14(13)15(16)20/h2-6,17-19,21H,7H2,1H3 |
| InChI Key | MPHUIXUWWQSYED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O7 |
| Molecular Weight | 318.28 g/mol |
| Exact Mass | 318.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.80 |
| 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 | 99.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.61% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.45% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.45% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.89% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.83% | 96.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.29% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.65% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.86% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.45% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.59% | 93.40% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.75% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.39% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.51% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.49% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.38% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.12% | 94.80% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.17% | 80.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.07% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.83% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.17% | 89.00% |
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.
| Swartzia polyphylla |
| PubChem | 10567534 |
| LOTUS | LTS0100526 |
| wikiData | Q105169525 |