1,3,8-Trihydroxy-5-methoxy-2,7-bis(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 1efc504a-a2c6-484f-9fce-a0251712a141 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 1,3,8-trihydroxy-5-methoxy-2,7-bis(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)OC)C |
| InChI | InChI=1S/C24H26O6/c1-12(2)6-8-14-10-18(29-5)24-20(21(14)26)23(28)19-17(30-24)11-16(25)15(22(19)27)9-7-13(3)4/h6-7,10-11,25-27H,8-9H2,1-5H3 |
| InChI Key | NQUGEMRGQVLCFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O6 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.30 |
| 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 | 99.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.30% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.17% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.95% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.12% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.67% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 87.47% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.24% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.31% | 89.34% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.00% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.54% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.86% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.91% | 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.
| Calophyllum brasiliense |
| PubChem | 163021413 |
| LOTUS | LTS0073701 |
| wikiData | Q105184092 |