4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-
| Internal ID | 8afebec1-37a7-4679-b24c-ab992354b72b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O |
| InChI | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-6,10,17-19H,7H2,1H3 |
| InChI Key | VCQMNUJRSNCWDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.50 |
| DTXSID401135856 |
| 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)- |
| 122087-35-8 |
| 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 | 98.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.91% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.22% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.20% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.44% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.09% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 86.85% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.02% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.79% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.02% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.50% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.81% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.01% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.44% | 99.17% |
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.
| Dalbergia parviflora |
| Sophora koreensis |
| PubChem | 67182664 |
| LOTUS | LTS0143601 |
| wikiData | Q104400111 |