1-hydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3,6,7-trimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | b2d234c7-a440-4e46-bb5f-5edc48f9b8e3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-hydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3,6,7-trimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC(C(=C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)C[C@H](C(=C)C)O)OC)C |
| InChI | InChI=1S/C26H30O7/c1-13(2)8-9-15-18(30-5)11-20-23(24(15)28)25(29)22-16(10-17(27)14(3)4)26(32-7)21(31-6)12-19(22)33-20/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3/t17-/m1/s1 |
| InChI Key | IUZNOAOULJFDJI-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O7 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3,6,7-trimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-8-2r-2-hydroxy-3-methylbut-3-enyl-367-trimethoxy-2-3-methylbut-2-enylxanthen-9-one.jpg "2D Structure of 1-hydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3,6,7-trimethoxy-2-(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 | 98.70% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.91% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.91% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.26% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.39% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.13% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.00% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.84% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.41% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.02% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.53% | 95.50% |
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 mangostana |
| PubChem | 163021718 |
| LOTUS | LTS0211920 |
| wikiData | Q105120939 |