(7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
| Internal ID | 06e90f76-362b-4024-928a-c75e618b5cd0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C1OC(CC3=O)C4=CC(=C(C=C4)O)O)OC(=C2)C(C)(C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C1O[C@@H](CC3=O)C4=CC(=C(C=C4)O)O)OC(=C2)C(C)(C)O)OC)C |
| InChI | InChI=1S/C26H28O7/c1-13(2)6-8-15-23(31-5)16-11-21(26(3,4)30)33-25(16)22-19(29)12-20(32-24(15)22)14-7-9-17(27)18(28)10-14/h6-7,9-11,20,27-28,30H,8,12H2,1-5H3/t20-/m0/s1 |
| InChI Key | GNUVMQAGBJMMEC-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O7 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/e96d18b0-87a8-11ee-9f1f-1376058fa9e3.jpg "2D Structure of (7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-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 | 99.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.23% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.54% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.06% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.22% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.07% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.77% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.75% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.56% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.45% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.48% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.35% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.77% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.51% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.30% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.82% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.55% | 86.92% |
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.
| Paramignya scandens |
| PubChem | 162843922 |
| LOTUS | LTS0202175 |
| wikiData | Q105013363 |