6-[(2S)-2,3-dimethylbut-3-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
| Internal ID | a44fc3f4-579c-4898-a054-004a882477ea |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 6-[(2S)-2,3-dimethylbut-3-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28O5/c1-14(2)6-7-18-11-17(8-9-21(18)27)20-13-31-23-12-22(28)19(10-16(5)15(3)4)25(29)24(23)26(20)30/h6,8-9,11-13,16,27-29H,3,7,10H2,1-2,4-5H3/t16-/m0/s1 |
| InChI Key | QRMRCFAGSOJASD-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O5 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 6-[(2S)-2,3-dimethylbut-3-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/394a50e0-8499-11ee-b40b-edb04493fe6d.jpg "2D Structure of 6-[(2S)-2,3-dimethylbut-3-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.49% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.46% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.12% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.64% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.57% | 85.14% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.08% | 96.12% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.83% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.67% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.35% | 83.10% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.64% | 91.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.23% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.96% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.60% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.71% | 97.28% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.85% | 83.82% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.63% | 91.71% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.05% | 98.11% |
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.
| Deguelia scandens |
| PubChem | 162928842 |
| LOTUS | LTS0202384 |
| wikiData | Q105226486 |