2-[(1R,4R)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-1,3,5,6-tetrahydroxyxanthen-9-one
| Internal ID | ee287faa-ef85-4c12-8dab-c9c7537d5200 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 2-[(1R,4R)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-1,3,5,6-tetrahydroxyxanthen-9-one |
| SMILES (Canonical) | CC(=C)C1CC(C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC(=C4O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1C[C@H](C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC(=C4O)O)O |
| InChI | InChI=1S/C23H24O6/c1-10(2)11-7-13(23(3,4)9-11)17-15(25)8-16-18(21(17)28)19(26)12-5-6-14(24)20(27)22(12)29-16/h5-6,8,11,13,24-25,27-28H,1,7,9H2,2-4H3/t11-,13+/m1/s1 |
| InChI Key | LYMUFMGSOHLCHO-YPMHNXCESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O6 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 2-[(1R,4R)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-1,3,5,6-tetrahydroxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-1r4r-22-dimethyl-4-prop-1-en-2-ylcyclopentyl-1356-tetrahydroxyxanthen-9-one.jpg "2D Structure of 2-[(1R,4R)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-1,3,5,6-tetrahydroxyxanthen-9-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 | 99.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.74% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.18% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.79% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.85% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.39% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.69% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.55% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.41% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.32% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.66% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.62% | 97.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.00% | 94.42% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.50% | 85.11% |
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.
| Hypericum patulum |
| Hypericum styphelioides |
| Momordica charantia |
| PubChem | 162854822 |
| LOTUS | LTS0153434 |
| wikiData | Q105257886 |