11,17,18,22-Tetrahydroxy-7,7,19,19-tetramethyl-2,6,20-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),8,11,14,16(21)-heptaen-13-one
| Internal ID | 71ae64e9-dd21-45c0-af6f-d3af60fcdf61 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 11,17,18,22-tetrahydroxy-7,7,19,19-tetramethyl-2,6,20-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),8,11,14,16(21)-heptaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC5=C(C(=C4O3)O)OC(C(C5O)O)(C)C)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC5=C(C(=C4O3)O)OC(C(C5O)O)(C)C)C |
| InChI | InChI=1S/C23H22O8/c1-22(2)6-5-9-12(30-22)8-13-14(15(9)24)16(25)10-7-11-17(26)21(28)23(3,4)31-20(11)18(27)19(10)29-13/h5-8,17,21,24,26-28H,1-4H3 |
| InChI Key | BWECSBFMOODIDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O8 |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 11,17,18,22-Tetrahydroxy-7,7,19,19-tetramethyl-2,6,20-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),8,11,14,16(21)-heptaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/fcaa4370-8217-11ee-a4d7-6dae701f31b1.jpg "2D Structure of 11,17,18,22-Tetrahydroxy-7,7,19,19-tetramethyl-2,6,20-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5(10),8,11,14,16(21)-heptaen-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 | 99.30% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.78% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.42% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.99% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.70% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.70% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.16% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.11% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.70% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.05% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.14% | 95.71% |
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.
| Calophyllum caledonicum |
| PubChem | 163058147 |
| LOTUS | LTS0123857 |
| wikiData | Q104947163 |