(2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one
| Internal ID | 62a34408-4772-4a1d-8e06-dd6118f90e87 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | (2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(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)CC=C(C)C)O)OC)(C)C |
| SMILES (Isomeric) | C[C@@H]1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C(=C4)CC=C(C)C)O)OC)(C)C |
| InChI | InChI=1S/C24H26O6/c1-11(2)7-8-13-9-14-20(26)17-15(30-22(14)23(28-6)19(13)25)10-16-18(21(17)27)24(4,5)12(3)29-16/h7,9-10,12,25,27H,8H2,1-6H3/t12-/m1/s1 |
| InChI Key | NHUUFIXWOHZWLZ-GFCCVEGCSA-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) | 85.20 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-48-dihydroxy-9-methoxy-233-trimethyl-7-3-methylbut-2-enyl-2h-furo32-bxanthen-5-one.jpg "2D Structure of (2R)-4,8-dihydroxy-9-methoxy-2,3,3-trimethyl-7-(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 | 99.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.24% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.77% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.07% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.91% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.84% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.96% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.83% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.59% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.50% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.65% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.96% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.47% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.31% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.12% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.17% | 96.09% |
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 | 163035098 |
| LOTUS | LTS0081386 |
| wikiData | Q105179603 |