(2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
| Internal ID | fa8653c9-3af8-4108-9265-eae8c88cb568 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | (2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=CC=C4O)O)CC(O2)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C=CC=C4O)O)C[C@H](O2)C(C)(C)O)C |
| InChI | InChI=1S/C23H24O6/c1-11(2)8-9-13-20-14(10-16(28-20)23(3,4)27)19(26)17-18(25)12-6-5-7-15(24)21(12)29-22(13)17/h5-8,16,24,26-27H,9-10H2,1-4H3/t16-/m0/s1 |
| InChI Key | ZBFQACWPPVQWER-INIZCTEOSA-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 | 4.70 |
| There are no found synonyms. |
![2D Structure of (2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/3db91e70-84d8-11ee-bdcf-27d29c2837c7.jpg "2D Structure of (2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[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 | 99.36% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.58% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.31% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.75% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.99% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.77% | 93.99% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.35% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.76% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.01% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.50% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.64% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.76% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.82% | 92.62% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.71% | 96.37% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.33% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.73% | 97.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.77% | 83.10% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.62% | 85.30% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.87% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.06% | 100.00% |
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.
| Garcinia mangostana |
| Garcinia merguensis |
| Morus insignis |
| PubChem | 162987335 |
| LOTUS | LTS0219342 |
| wikiData | Q105370563 |