22-Hydroxy-6,6,19,19-tetramethyl-2,5,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),7,10,15,17,21-octaen-13-one
| Internal ID | 8a35257a-8e93-43b9-ae71-27d27e8f6e47 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 22-hydroxy-6,6,19,19-tetramethyl-2,5,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),7,10,15,17,21-octaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)C |
| InChI | InChI=1S/C23H20O5/c1-22(2)10-8-13-11-15-16(24)14-6-5-12-7-9-23(3,4)28-19(12)21(14)26-20(15)17(25)18(13)27-22/h5-11,25H,1-4H3 |
| InChI Key | DQRASXJVUGKWKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20O5 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 22-Hydroxy-6,6,19,19-tetramethyl-2,5,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),7,10,15,17,21-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/2ccb7e60-8657-11ee-b6a8-994255b27f10.jpg "2D Structure of 22-Hydroxy-6,6,19,19-tetramethyl-2,5,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),7,10,15,17,21-octaen-13-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 | 99.52% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.86% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.43% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.75% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.37% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.63% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.39% | 94.42% |
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.
| Mesua ferrea |
| PubChem | 162909351 |
| LOTUS | LTS0151923 |
| wikiData | Q104987089 |