(8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8-methylpyrano[2,3-h]chromen-4-one
| Internal ID | 379b16e7-236a-4c48-b587-1b1cdb8a7d67 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8-methylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3-/t25-/m0/s1 |
| InChI Key | KUZOHQFKZOINRC-ZJFKJXKVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H24O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8-methylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/dcce01b0-85b3-11ee-aa60-713117c8a5ba.jpg "2D Structure of (8S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8-methylpyrano[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 | 99.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.99% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.26% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.09% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.01% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.99% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.60% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.34% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 86.60% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.58% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.39% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.31% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.48% | 99.17% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.43% | 91.38% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.21% | 96.12% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.83% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.38% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.64% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.23% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.57% | 99.23% |
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.
| Morus alba |
| PubChem | 163193211 |
| LOTUS | LTS0079228 |
| wikiData | Q105146423 |