3-(2,4-Dihydroxyphenyl)-1-[5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]prop-2-en-1-one
| Internal ID | ca71a5c5-1f46-4245-909e-aaeac705f8af |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | 3-(2,4-dihydroxyphenyl)-1-[5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]prop-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30O6/c1-15(2)6-9-17-12-19-22(32-26(17,3)4)14-23(31-5)24(25(19)30)20(28)11-8-16-7-10-18(27)13-21(16)29/h6-8,10-11,13-14,17,27,29-30H,9,12H2,1-5H3 |
| InChI Key | JJMWPCIGAITBBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 3-(2,4-Dihydroxyphenyl)-1-[5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/f48b9d70-8737-11ee-999e-05a3c06dadad.jpg "2D Structure of 3-(2,4-Dihydroxyphenyl)-1-[5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]prop-2-en-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.53% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.74% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.25% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.96% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.64% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 88.93% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.80% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.28% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.61% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.52% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.55% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.08% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.86% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.59% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.50% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.91% | 93.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.87% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.72% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.97% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.92% | 98.75% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.59% | 89.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.41% | 92.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.75% | 85.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.31% | 94.00% |
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.
| Sophora flavescens |
| PubChem | 73236930 |
| LOTUS | LTS0084263 |
| wikiData | Q105129734 |