2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
| Internal ID | e78cce44-df9e-49c5-aca4-3961dc8d0dc0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(CC2=O)C4=CC(=C(C=C4)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(CC2=O)C4=CC(=C(C=C4)O)O)O)C |
| InChI | InChI=1S/C25H28O7/c1-12(2)5-7-14-22(29)21-18(28)11-19(13-6-8-16(26)17(27)9-13)31-24(21)15-10-20(25(3,4)30)32-23(14)15/h5-6,8-9,19-20,26-27,29-30H,7,10-11H2,1-4H3 |
| InChI Key | FMVFFMVMWVSZRC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.30 |
| 2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
![2D Structure of 2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fd9cf600-811d-11ee-bc91-83d48afe8b3d.jpg "2D Structure of 2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[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 | 99.86% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.46% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.08% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.09% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.55% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.52% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.85% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.60% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.46% | 89.34% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.65% | 98.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.51% | 99.15% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.84% | 96.37% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.50% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.27% | 100.00% |
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.
| Dorstenia mannii |
| PubChem | 10527064 |
| LOTUS | LTS0235867 |
| wikiData | Q104998080 |