(2S,3S)-2,3,8-trihydroxy-6-methoxy-7-(3-methylbut-2-enyl)-1,2,3,4-tetrahydroxanthen-9-one
| Internal ID | 024e695b-7a34-49a2-9b33-08f97d2d685c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (2S,3S)-2,3,8-trihydroxy-6-methoxy-7-(3-methylbut-2-enyl)-1,2,3,4-tetrahydroxanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)CC(C(C3)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C[C@@H]([C@H](C3)O)O)OC)C |
| InChI | InChI=1S/C19H22O6/c1-9(2)4-5-10-14(24-3)8-16-17(18(10)22)19(23)11-6-12(20)13(21)7-15(11)25-16/h4,8,12-13,20-22H,5-7H2,1-3H3/t12-,13-/m0/s1 |
| InChI Key | BITWJRJAUFCALC-STQMWFEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
| 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 | 99.53% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.94% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.85% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.44% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.55% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.51% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.35% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.23% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.30% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.86% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.05% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.18% | 95.89% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.09% | 95.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.09% | 93.99% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.09% | 96.90% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.05% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.88% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.83% | 96.00% |
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 | 163065723 |
| LOTUS | LTS0086145 |
| wikiData | Q104936785 |