(8S)-8-(2-hydroxypropan-2-yl)-5-methoxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one
| Internal ID | 46864fe7-4ab3-4a85-89fd-4b0254af8215 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | (8S)-8-(2-hydroxypropan-2-yl)-5-methoxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O6/c1-15(2)7-12-18-24-19(13-21(33-24)27(3,4)29)26-22(25(18)31-6)23(28)20(14-32-26)16-8-10-17(30-5)11-9-16/h7-11,14,21,29H,12-13H2,1-6H3/t21-/m0/s1 |
| InChI Key | LQOJIQCQEUPKKV-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O6 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (8S)-8-(2-hydroxypropan-2-yl)-5-methoxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fd57de40-875e-11ee-8711-f3a9401ad603.jpg "2D Structure of (8S)-8-(2-hydroxypropan-2-yl)-5-methoxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[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 | 98.70% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.28% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.33% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.64% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.07% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.37% | 89.34% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.77% | 93.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.34% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.46% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.71% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.97% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.73% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.78% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.16% | 95.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.64% | 89.00% |
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.
| Deguelia scandens |
| PubChem | 162910931 |
| LOTUS | LTS0074648 |
| wikiData | Q105155636 |