(8S)-5-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 81cfb94e-bb55-412a-95e1-a864becab7fc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (8S)-5-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=C)C(CC1=C2C(=C(C3=C1OC(CC3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)O |
| InChI | InChI=1S/C25H26O6/c1-13(2)18(27)11-17-23-16(9-10-25(3,4)31-23)22(29)21-19(28)12-20(30-24(17)21)14-5-7-15(26)8-6-14/h5-10,18,20,26-27,29H,1,11-12H2,2-4H3/t18-,20+/m1/s1 |
| InChI Key | LZDOHAQXBZGKIA-QUCCMNQESA-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 (8S)-5-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/ecde90f0-8623-11ee-8a77-9545d739272b.jpg "2D Structure of (8S)-5-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.13% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.68% | 94.45% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 95.15% | 91.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.82% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.08% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.65% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.18% | 91.49% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.12% | 90.93% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.61% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.59% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.93% | 99.23% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.63% | 80.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.36% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
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.
| Derris reticulata |
| PubChem | 163072889 |
| LOTUS | LTS0024522 |
| wikiData | Q105159797 |