(2R)-4,8,9-trihydroxy-2,3,3-trimethyl-11-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one
| Internal ID | 4acf6c43-c115-44b8-8306-e046418b960a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | (2R)-4,8,9-trihydroxy-2,3,3-trimethyl-11-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)CC=C(C)C)(C)C |
| SMILES (Isomeric) | C[C@@H]1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)CC=C(C)C)(C)C |
| InChI | InChI=1S/C23H24O6/c1-10(2)6-7-13-20-15(19(27)16-21(13)28-11(3)23(16,4)5)17(25)12-8-9-14(24)18(26)22(12)29-20/h6,8-9,11,24,26-27H,7H2,1-5H3/t11-/m1/s1 |
| InChI Key | MPGIKBDCZHZTJM-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O6 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (2R)-4,8,9-trihydroxy-2,3,3-trimethyl-11-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-489-trihydroxy-233-trimethyl-11-3-methylbut-2-enyl-2h-furo32-bxanthen-5-one.jpg "2D Structure of (2R)-4,8,9-trihydroxy-2,3,3-trimethyl-11-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-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 | 99.58% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 96.59% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.91% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.70% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.94% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.59% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.72% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.05% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.89% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.06% | 94.73% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.48% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.90% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.71% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.84% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.78% | 98.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.20% | 91.38% |
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.
| Maclura cochinchinensis |
| PubChem | 163022891 |
| LOTUS | LTS0158227 |
| wikiData | Q105169494 |