5,9,10-Trihydroxy-7-(3-hydroxy-3-methylbutyl)-8-(3-methylbut-2-enyl)furo[2,3-c]xanthen-6-one
| Internal ID | 48b2c297-9551-4d5d-9f4b-90bf61b2924f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 5,9,10-trihydroxy-7-(3-hydroxy-3-methylbutyl)-8-(3-methylbut-2-enyl)furo[2,3-c]xanthen-6-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C(=C1O)O)OC3=C(C2=O)C(=CC4=C3C=CO4)O)CCC(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C(=C1O)O)OC3=C(C2=O)C(=CC4=C3C=CO4)O)CCC(C)(C)O)C |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-6-14-13(7-9-25(3,4)30)18-21(28)19-16(26)11-17-15(8-10-31-17)23(19)32-24(18)22(29)20(14)27/h5,8,10-11,26-27,29-30H,6-7,9H2,1-4H3 |
| InChI Key | MXKICINRYXUHQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 5,9,10-Trihydroxy-7-(3-hydroxy-3-methylbutyl)-8-(3-methylbut-2-enyl)furo[2,3-c]xanthen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/5910-trihydroxy-7-3-hydroxy-3-methylbutyl-8-3-methylbut-2-enylfuro23-cxanthen-6-one.jpg "2D Structure of 5,9,10-Trihydroxy-7-(3-hydroxy-3-methylbutyl)-8-(3-methylbut-2-enyl)furo[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 | 99.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.66% | 91.49% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.60% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.95% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.77% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.35% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 92.73% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.35% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.63% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.08% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.71% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.33% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.33% | 96.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.31% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.32% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
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.
| Coffea arabica |
| Garcinia xanthochymus |
| Onobrychis viciifolia |
| Prunus avium |
| Ribes nigrum |
| PubChem | 162937039 |
| LOTUS | LTS0140332 |
| wikiData | Q27102761 |