10-(2,3-Dihydroxy-3-methylbutyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 0ca7e75d-14a4-443e-9e8c-0472801d83a8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 10-(2,3-dihydroxy-3-methylbutyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(C3=C(C(=C2O1)CC(C(C)(C)O)O)OC(CC3=O)C4=CC=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C3=C(C(=C2O1)CC(C(C)(C)O)O)OC(CC3=O)C4=CC=C(C=C4)O)O)C |
| InChI | InChI=1S/C25H28O7/c1-24(2)10-9-15-21(29)20-17(27)12-18(13-5-7-14(26)8-6-13)31-23(20)16(22(15)32-24)11-19(28)25(3,4)30/h5-10,18-19,26,28-30H,11-12H2,1-4H3 |
| InChI Key | PSOLWKCBNWNCAJ-UHFFFAOYSA-N |
| Popularity | 0 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 | 3.20 |
| There are no found synonyms. |
![2D Structure of 10-(2,3-Dihydroxy-3-methylbutyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/17450f60-81fc-11ee-b95c-c9251d903262.jpg "2D Structure of 10-(2,3-Dihydroxy-3-methylbutyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.04% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.31% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.84% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 94.71% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 92.26% | 91.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.21% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.51% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.29% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.29% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.14% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.10% | 95.71% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.75% | 80.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.38% | 97.79% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.25% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.14% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.00% | 97.14% |
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.
| Derris reticulata |
| PubChem | 85379880 |
| LOTUS | LTS0159170 |
| wikiData | Q105214292 |