5,7-dihydroxy-3-[(2S)-7-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-yl]chromen-4-one
| Internal ID | ed9adf94-e7b4-4a8a-85dd-361ad0928efc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones > 2-prenylated isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-[(2S)-7-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-yl]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1C3=COC4=CC(=CC(=C4C3=O)O)O)CC(O2)C(C)(C)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1C3=COC4=CC(=CC(=C4C3=O)O)O)C[C@H](O2)C(C)(C)O)O)OC)C |
| InChI | InChI=1S/C26H28O8/c1-12(2)6-7-14-20(16-11-33-18-9-13(27)8-17(28)21(18)22(16)29)15-10-19(26(3,4)31)34-25(15)23(30)24(14)32-5/h6,8-9,11,19,27-28,30-31H,7,10H2,1-5H3/t19-/m0/s1 |
| InChI Key | OVUANGPZOASEKM-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O8 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-3-[(2S)-7-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2adc4fe0-86e4-11ee-ba91-ab909bc14cfc.jpg "2D Structure of 5,7-dihydroxy-3-[(2S)-7-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-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 | 99.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.61% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.84% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.19% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.15% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.89% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.75% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.62% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.72% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.51% | 95.64% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.81% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.11% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.02% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 86.63% | 90.71% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.36% | 98.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.77% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.34% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.64% | 92.68% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.45% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.38% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.18% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.10% | 95.71% |
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.
| Piscidia piscipula |
| PubChem | 162895849 |
| LOTUS | LTS0178987 |
| wikiData | Q105201420 |