10-(2-Hydroperoxy-3-methylbut-3-enyl)-11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,5,9,11,15,17,21-octaen-13-one
| Internal ID | c67c6bf3-1013-479e-85f5-6de4de6eec98 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 10-(2-hydroperoxy-3-methylbut-3-enyl)-11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,5,9,11,15,17,21-octaen-13-one |
| SMILES (Canonical) | CC(=C)C(CC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)C=CC(O2)(C)C)OO |
| SMILES (Isomeric) | CC(=C)C(CC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)C=CC(O2)(C)C)OO |
| InChI | InChI=1S/C28H28O8/c1-13(2)18(36-32)12-17-21(30)19-20(29)16-11-14-7-9-27(3,4)34-23(14)22(31)26(16)33-25(19)15-8-10-28(5,6)35-24(15)17/h7-11,18,30-32H,1,12H2,2-6H3 |
| InChI Key | ZKKHVRUAUFZRAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H28O8 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 10-(2-Hydroperoxy-3-methylbut-3-enyl)-11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,5,9,11,15,17,21-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/277b47b0-86a5-11ee-bc32-1d8846d24e4d.jpg "2D Structure of 10-(2-Hydroperoxy-3-methylbut-3-enyl)-11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,5,9,11,15,17,21-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.71% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.15% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.91% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.17% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.32% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.79% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.68% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.56% | 80.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.57% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.51% | 95.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.96% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.62% | 99.17% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.89% | 96.67% |
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.
| Eupatorium altissimum |
| Eupatorium rotundifolium |
| Garcinia latissima |
| Helianthus annuus |
| Trichogonia campestris |
| PubChem | 10601187 |
| LOTUS | LTS0207840 |
| wikiData | Q105125916 |