(2R)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
| Internal ID | 572ff01e-52f3-4589-8b6c-63a5189cf0e9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2R)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O7/c1-24(2,30)7-6-14-16(26)10-18(28)22-19(29)12-21(31-23(14)22)15-9-13-5-8-25(3,4)32-20(13)11-17(15)27/h5,8-11,21,26-28,30H,6-7,12H2,1-4H3/t21-/m1/s1 |
| InChI Key | YRFONVUVHGLFMJ-OAQYLSRUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.90 |
| BDBM50114929 |
| 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 | 98.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.93% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.91% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.08% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.82% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.75% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.84% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 88.33% | 96.37% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.15% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.90% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.20% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.19% | 92.68% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.80% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.33% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.54% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.43% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.80% | 97.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.57% | 80.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.86% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.34% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.75% | 99.35% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.45% | 91.07% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.37% | 97.05% |
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.
| Maclura tricuspidata |
| PubChem | 122187384 |
| LOTUS | LTS0230039 |
| wikiData | Q105352766 |