(2R)-4,7,8,9-tetrahydroxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one
| Internal ID | da392365-be53-44e2-84ab-9ecad08f04a2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | (2R)-4,7,8,9-tetrahydroxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=CC4=C(CC(O4)C(=C)C)C(=C3C2=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=CC4=C(C[C@@H](O4)C(=C)C)C(=C3C2=O)O)C |
| InChI | InChI=1S/C23H22O7/c1-9(2)5-6-11-16-20(26)17-15(30-23(16)22(28)21(27)19(11)25)8-14-12(18(17)24)7-13(29-14)10(3)4/h5,8,13,24-25,27-28H,3,6-7H2,1-2,4H3/t13-/m1/s1 |
| InChI Key | PIPKOMCOCGAXLZ-CYBMUJFWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (2R)-4,7,8,9-tetrahydroxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1ab6e620-8591-11ee-abfc-45a8cb4f214f.jpg "2D Structure of (2R)-4,7,8,9-tetrahydroxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-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 | 99.01% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.66% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.93% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.78% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.63% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.19% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.22% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.79% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.89% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.62% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.48% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.85% | 94.80% |
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.
| Cratoxylum sumatranum |
| PubChem | 162899667 |
| LOTUS | LTS0039045 |
| wikiData | Q105209639 |