(3S,8S)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
| Internal ID | 5f2ad535-9d4f-4266-b80c-a584c68891f0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | (3S,8S)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28O7/c1-14(2)6-5-10-26(3)11-9-16-20(33-26)12-18(27)21-22(28)17(13-32-25(16)21)15-7-8-19(31-4)24(30)23(15)29/h6-9,11-12,17,27,29-30H,5,10,13H2,1-4H3/t17-,26+/m1/s1 |
| InChI Key | UHIRAJMFBJREAS-QUGAMOGWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H28O7 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (3S,8S)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/96d13e60-86c9-11ee-aac1-b9bf29522d06.jpg "2D Structure of (3S,8S)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[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 | 99.80% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.50% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.34% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.69% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.66% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.97% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.53% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.22% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.78% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.43% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.51% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.13% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.90% | 90.71% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.80% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.22% | 92.88% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.96% | 85.30% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.33% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.25% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.92% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.53% | 96.00% |
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.
| Berchemia discolor |
| PubChem | 132989037 |
| LOTUS | LTS0054386 |
| wikiData | Q105272909 |