5,7-Dihydroxy-2-[4-methoxy-3,5-bis-(3-methyl-but-2-enyl)-phenyl]-chroman-4-one
| Internal ID | 8d4f60fa-3dec-4880-b658-d3d17941fd9c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | 5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| InChI | InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3 |
| InChI Key | JHEBMTRMMJXPTM-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C26H30O5 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 6.60 |
| 5,7-Dihydroxy-2-(4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl)chroman-4-one |
| MLS000876982 |
| MEGxp0_001954 |
| 3',5'-Diprenyl-dihydroacacetin |
| CHEMBL1425525 |
| ACon1_000359 |
| HMS2271C06 |
| 5,7-Dihydroxy-2-[4-methoxy-3,5-bis-(3-methyl-but-2-enyl)-phenyl]-chroman-4-one |
| NCGC00169151-01 |
| SMR000440600 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 5,7-Dihydroxy-2-[4-methoxy-3,5-bis-(3-methyl-but-2-enyl)-phenyl]-chroman-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-2-4-methoxy-35-bis-3-methyl-but-2-enyl-phenyl-chroman-4-one.jpg "2D Structure of 5,7-Dihydroxy-2-[4-methoxy-3,5-bis-(3-methyl-but-2-enyl)-phenyl]-chroman-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% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.32% | 96.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.72% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.02% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.08% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.40% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.81% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.17% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.42% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.19% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.17% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.89% | 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.
| Erythrina addisoniae |
| Erythrina burttii |
| Erythrina lysistemon |
| Erythrina mildbraedii |
| PubChem | 15382621 |
| LOTUS | LTS0024461 |
| wikiData | Q105127917 |