2-(2,2-Dimethyl-4-prop-1-en-2-ylcyclopentyl)-1,3,5-trihydroxyxanthen-9-one
| Internal ID | b0c17ca3-bf19-4ee5-9a1e-ad3a1f620a14 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 2-(2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl)-1,3,5-trihydroxyxanthen-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 |
| SMILES (Isomeric) | CC(=C)C1CC(C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC=C4O)O |
| InChI | InChI=1S/C23H24O5/c1-11(2)12-8-14(23(3,4)10-12)18-16(25)9-17-19(21(18)27)20(26)13-6-5-7-15(24)22(13)28-17/h5-7,9,12,14,24-25,27H,1,8,10H2,2-4H3 |
| InChI Key | AUUIZUXRGRVPCU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H24O5 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.10 |
| 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 | 99.81% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.24% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.62% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.99% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.93% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.47% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.09% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.07% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.38% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.98% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.91% | 97.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.73% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.11% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.36% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.18% | 83.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.50% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.70% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.65% | 92.62% |
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 styphelioides |
| PubChem | 72767331 |
| LOTUS | LTS0237314 |
| wikiData | Q104919141 |