(2S)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
| Internal ID | 990345d6-9a04-42a5-b4f9-c33cde61a4c6 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | (2S)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC(=CC1=C(C=CC(=C1)C2=COC3=CC4=C(CC(O4)C(C)(C)O)C(=C3C2=O)O)O)C |
| SMILES (Isomeric) | CC(=CC1=C(C=CC(=C1)C2=COC3=CC4=C(C[C@H](O4)C(C)(C)O)C(=C3C2=O)O)O)C |
| InChI | InChI=1S/C24H24O6/c1-12(2)7-14-8-13(5-6-17(14)25)16-11-29-19-10-18-15(22(26)21(19)23(16)27)9-20(30-18)24(3,4)28/h5-8,10-11,20,25-26,28H,9H2,1-4H3/t20-/m0/s1 |
| InChI Key | FDUNCNVQGNIJMX-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O6 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (2S)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/f2b13ff0-8695-11ee-988a-1d85538414da.jpg "2D Structure of (2S)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-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 | 99.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.86% | 89.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.28% | 98.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.18% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.49% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.11% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.91% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.24% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.53% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.93% | 85.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.75% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.46% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.14% | 95.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.47% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.58% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.43% | 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 albus |
| PubChem | 162917166 |
| LOTUS | LTS0126226 |
| wikiData | Q104993814 |