(2R,8S)-5-hydroxy-2-(hydroxymethyl)-8-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | a5d80991-5364-4859-89eb-4416214d832f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2R,8S)-5-hydroxy-2-(hydroxymethyl)-8-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)CO)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=CC=C(C=C4)O)O)C=C[C@](O2)(C)CO)C |
| InChI | InChI=1S/C25H26O6/c1-14(2)4-9-18-23-17(10-11-25(3,13-26)31-23)22(29)21-19(28)12-20(30-24(18)21)15-5-7-16(27)8-6-15/h4-8,10-11,20,26-27,29H,9,12-13H2,1-3H3/t20-,25+/m0/s1 |
| InChI Key | JBYKRTWBBLFUGO-NBGIEHNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2R,8S)-5-hydroxy-2-(hydroxymethyl)-8-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/c6c9d6b0-82a3-11ee-90ea-dbfb48dd782b.jpg "2D Structure of (2R,8S)-5-hydroxy-2-(hydroxymethyl)-8-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-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 | 99.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.33% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.20% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.34% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 91.04% | 91.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.74% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.06% | 91.49% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.76% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.59% | 98.59% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.94% | 83.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.85% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.08% | 96.37% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.70% | 99.17% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.47% | 80.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.34% | 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.
| Erythrina fusca |
| PubChem | 101481772 |
| LOTUS | LTS0212840 |
| wikiData | Q105124648 |