(2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-enyl)-1,2-dihydrofuro[2,3-c]xanthen-6-one
| Internal ID | 1660274f-4b57-4eb1-99d8-72b36598ad09 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | (2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-enyl)-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)CC(O2)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C(=CC=C4)O)C[C@H](O2)C(C)(C)O)C |
| InChI | InChI=1S/C23H24O6/c1-11(2)8-9-13-19(26)17-18(25)12-6-5-7-15(24)21(12)29-22(17)14-10-16(23(3,4)27)28-20(13)14/h5-8,16,24,26-27H,9-10H2,1-4H3/t16-/m0/s1 |
| InChI Key | STZQZHINUHDXTE-INIZCTEOSA-N |
| Popularity | 1 reference 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)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-enyl)-1,2-dihydrofuro[2,3-c]xanthen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/8af96620-85fc-11ee-9acf-9f68fbccd7a6.jpg "2D Structure of (2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-enyl)-1,2-dihydrofuro[2,3-c]xanthen-6-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 | 99.42% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.97% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.47% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.92% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.15% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.07% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.80% | 89.34% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.37% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.23% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.82% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.92% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.52% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.46% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.78% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.13% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.93% | 92.62% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.42% | 96.37% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.55% | 83.10% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.78% | 96.39% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.12% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.63% | 93.56% |
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.
| Morus insignis |
| PubChem | 163001119 |
| LOTUS | LTS0063087 |
| wikiData | Q105260711 |