5,7-Dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
| Internal ID | 58a19ad6-8259-4fe8-9822-04920be8b56f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | 5,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)OC)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-7-16-8-17(9-18(26(16)31-5)10-20(28)15(3)4)23-13-22(30)25-21(29)11-19(27)12-24(25)32-23/h6,8-9,11-12,20,23,27-29H,3,7,10,13H2,1-2,4-5H3 |
| InChI Key | KYRSZRIRTFGZQS-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 | 5.50 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9fec2c30-83ae-11ee-ae91-69c9760d17d3.jpg "2D Structure of 5,7-Dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.62% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.85% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.33% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.50% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.39% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.90% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.49% | 96.12% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.91% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.17% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.45% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.95% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.85% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.47% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.96% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.05% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.35% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.24% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.73% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.49% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.04% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.44% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.43% | 98.75% |
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.
| Erythrina addisoniae |
| PubChem | 74336649 |
| LOTUS | LTS0086123 |
| wikiData | Q105147899 |