Lupinenol
| Internal ID | 7d9e1c77-73fe-41ae-b353-29d67ab1df28 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C1OC(=C3)C(C)(C)O)OC(CC2=O)C4=CC=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C1OC(=C3)C(C)(C)O)OC(CC2=O)C4=CC=C(C=C4)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-10-16-22(28)21-18(27)12-19(14-6-8-15(26)9-7-14)30-24(21)17-11-20(25(3,4)29)31-23(16)17/h5-9,11,19,26,28-29H,10,12H2,1-4H3 |
| InChI Key | VEBKLRPESKIERY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 4.80 |
| CHEBI:177975 |
| LMPK12140266 |
| 5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrouro[2,3-h]chromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.46% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.32% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.27% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.48% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.37% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.02% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.69% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.79% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.76% | 90.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.55% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.12% | 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.
| Lupinus luteus |
| PubChem | 42607926 |
| LOTUS | LTS0021656 |
| wikiData | Q105284497 |