3,5,7-trihydroxy-2-(4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl)chromen-4-one
| Internal ID | 50a979e8-aeb8-41d0-bfd0-b2143279bfbb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl)chromen-4-one |
| SMILES (Canonical) | CC1(CCCC2(C1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)C)C |
| InChI | InChI=1S/C25H26O7/c1-24(2)7-4-8-25(3)18(24)11-14-13(5-6-15(27)22(14)32-25)23-21(30)20(29)19-16(28)9-12(26)10-17(19)31-23/h5-6,9-10,18,26-28,30H,4,7-8,11H2,1-3H3 |
| InChI Key | RQGIPLQXOXXTRU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
| 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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.70% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.01% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.25% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.92% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.53% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.99% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.42% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.13% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.77% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.77% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.57% | 98.35% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.34% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 85.23% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.67% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.31% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.38% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.26% | 94.73% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.02% | 95.64% |
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.
| Helminthostachys zeylanica |
| PubChem | 56657023 |
| LOTUS | LTS0086068 |
| wikiData | Q105243315 |