5,7-dihydroxy-2-[(2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
| Internal ID | 3d6519fc-f23b-4bc0-b61d-1d8e6baca933 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 5,7-dihydroxy-2-[(2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C(C(O2)C(C)(C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)[C@@H]([C@H](O2)C(C)(C)O)O)C |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-6-13-7-14(8-16-22(29)24(25(3,4)30)32-23(13)16)19-11-18(28)21-17(27)9-15(26)10-20(21)31-19/h5,7-11,22,24,26-27,29-30H,6H2,1-4H3/t22-,24-/m0/s1 |
| InChI Key | JYVMICVJPDSGOZ-UPVQGACJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-2-[(2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7e932460-8414-11ee-9b52-53f53aebd067.jpg "2D Structure of 5,7-dihydroxy-2-[(2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]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 | 99.08% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.76% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.11% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.80% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.04% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.96% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.72% | 91.49% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.36% | 95.71% |
| CHEMBL3194 | P02766 | Transthyretin | 86.22% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.57% | 99.23% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.42% | 91.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.41% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.16% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.06% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.77% | 94.00% |
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.
| Alstonia macrophylla |
| Epimedium brevicornu |
| PubChem | 162904220 |
| LOTUS | LTS0274830 |
| wikiData | Q105182618 |