(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-[(2S)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one
| Internal ID | 1a13035a-c811-4e92-8892-27a2c7e1b4ab |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-[(2S)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O7/c1-13(2)4-5-15(14(3)12-26)8-18-20(29)10-21(30)24-22(31)11-23(32-25(18)24)17-7-6-16(27)9-19(17)28/h4,6-7,9-10,14-15,23,26-30H,5,8,11-12H2,1-3H3/t14-,15-,23+/m1/s1 |
| InChI Key | ZKKGYEOMZNZTOJ-WBPRFABPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H30O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-[(2S)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/695ba240-8596-11ee-9842-5fc4cd5dec1c.jpg "2D Structure of (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-[(2S)-1-hydroxypropan-2-yl]-5-methylhex-4-enyl]-2,3-dihydrochromen-4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.40% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.20% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.08% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.32% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.98% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.93% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.98% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.85% | 94.75% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.83% | 96.12% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.34% | 83.10% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.01% | 91.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.62% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.54% | 90.08% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.36% | 99.35% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.29% | 97.23% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.24% | 80.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.91% | 88.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.86% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.75% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.47% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.19% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.74% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.39% | 100.00% |
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 | 162989710 |
| LOTUS | LTS0105124 |
| wikiData | Q105378538 |