1,3,6,7-tetrahydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | f110df62-3137-46df-a63d-80f4a0f774b7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1,3,6,7-tetrahydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC(C(=C)C)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)C[C@H](C(=C)C)O)O)O)O)C |
| InChI | InChI=1S/C23H24O7/c1-10(2)5-6-12-19-17(9-16(26)21(12)27)30-18-8-15(25)13(7-14(24)11(3)4)22(28)20(18)23(19)29/h5,8-9,14,24-28H,3,6-7H2,1-2,4H3/t14-/m1/s1 |
| InChI Key | CIDJAUDKEZWBTC-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O7 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 1,3,6,7-tetrahydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1367-tetrahydroxy-2-2r-2-hydroxy-3-methylbut-3-enyl-8-3-methylbut-2-enylxanthen-9-one.jpg "2D Structure of 1,3,6,7-tetrahydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)xanthen-9-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 | 99.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.35% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.28% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.04% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.16% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.42% | 91.49% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.24% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.65% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.30% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.12% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.80% | 96.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.62% | 95.64% |
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 xipshuanbannaensis |
| PubChem | 162859414 |
| LOTUS | LTS0032281 |
| wikiData | Q104959652 |